Molecule ID: 629744

IUPAC Name: (4-methylphenyl)-(2-sulfanylidene-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-1-yl)methanone

Description: The molecule is a triazolobenzothiazole that is [1,2,4]triazolo[5,1-b][1,3]benzothiazole substituted at positions 1 and 2 by 4-methylbenzoyl and thioxo groups respectively. It is a triazolobenzothiazole and a thiocarbonyl compound.

SMILES: Cc1ccc(C(=O)n2c(=S)nc3sc4ccccc4n32)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C16H11N3OS2/c1-10-6-8-11(9-7-10)14(20)19-15(21)17-16-18(19)12-4-2-3-5-13(12)22-16/h2-9H,1H3

Molecular Properties:
- Polar Surface Area: 93.3 Ų
- LogP: 4.1