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

Systemtic Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)N=C(N4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)N=C(N4)C(C)(C)C

InChI

InChI=1S/C23H26N6OS/c1-14-5-7-15(8-6-14)20-27-28-22(31)29(20)12-11-19(30)24-16-9-10-17-18(13-16)26-21(25-17)23(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,24,30)(H,25,26)(H,28,31)