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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propyl-2-benzimidazolyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-propylbenzimidazol-2-yl)propionamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=NNC3=S)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=NNC3=S)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H24N6OS/c1-3-12-27-18-10-5-4-9-17(18)23-21(27)24-19(29)11-13-28-20(25-26-22(28)30)16-8-6-7-15(2)14-16/h4-10,14H,3,11-13H2,1-2H3,(H,26,30)(H,23,24,29)