2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propyl-2-benzimidazolyl)acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)acetamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H22N6OS/c1-3-11-26-17-10-5-4-9-16(17)22-20(26)23-18(28)13-27-19(24-25-21(27)29)15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,25,29)(H,22,23,28)