N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4OS/c1-11-4-2-5-12(8-11)16(23)19-10-15-20-21-17(24)22(15)14-7-3-6-13(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,21,24)