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

Systemtic Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C4CC4

InChI

InChI=1S/C18H19N5O3S/c1-23-16(10-7-8-10)21-22-18(23)27-9-13(24)14(17(25)26-2)15-19-11-5-3-4-6-12(11)20-15/h3-6,10,19-20H,7-9H2,1-2H3