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

Systemtic Name: 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]-N-methylsulfonyl-benzamide Openeye Name: 4-[2-[(3-chlorophenyl)methyl]-3-thioxo-1H-1,2,4-triazol-5-yl]-N-methylsulfonyl-benzamide CAS Name: 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]-N-methylsulfonylbenzamide IUPAC Name: 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]-N-methylsulfonylbenzamide Traditional Name: 4-[2-(3-chlorobenzyl)-3-thioxo-1H-1,2,4-triazol-5-yl]-N-mesyl-benzamide Formula: C17H15ClN4O3S2 MolecularWeight: 422.909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O3S2/c1-27(24,25)21-16(23)13-7-5-12(6-8-13)15-19-17(26)22(20-15)10-11-3-2-4-14(18)9-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,26)