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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[1-(p-tolyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C20H18N6O3S/c1-12-7-9-13(10-8-12)26-20(23-24-25-26)30-11-16(27)17(19(28)29-2)18-21-14-5-3-4-6-15(14)22-18/h3-10,21-22H,11H2,1-2H3