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

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

CC1=NN=C(N1C2CC2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

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