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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-methyl-5-pyridin-4-yl-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-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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