Molecule ID: 5842956

IUPAC Name: (2Z,3Z)-2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile

Description: The molecule is a dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase). It has a role as a protein kinase inhibitor. It is a dinitrile, an enamine and an aryl sulfide. It derives from a hydride of a buta-1,3-diene.

SMILES: N#CC(=C(/N)Sc1ccccc1)/C(C#N)=C(\N)Sc1ccccc1

SELFIES: [N][#C][C][=Branch1][=C][=C][Branch1][C][/N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][Ring1][C][#N][=C][Branch1][C][\N][S][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C18H14N4S2/c19-11-15(17(21)23-13-7-3-1-4-8-13)16(12-20)18(22)24-14-9-5-2-6-10-14/h1-10H,21-22H2/b17-15+,18-16+

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: 3.4