methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-26-19(13-8-4-3-5-9-13)24-25-21(26)30-12-16(27)17(20(28)29-2)18-22-14-10-6-7-11-15(14)23-18/h3-11,22-23H,12H2,1-2H3