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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1CNC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1CNC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)C

InChI

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