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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(4-allyl-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(N1CC=C)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C18H19N5O3S/c1-4-9-23-11(2)21-22-18(23)27-10-14(24)15(17(25)26-3)16-19-12-7-5-6-8-13(12)20-16/h4-8,19-20H,1,9-10H2,2-3H3