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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-3-keto-butyric acid methyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C17H19N5O3S/c1-10(2)22-9-18-21-17(22)26-8-13(23)14(16(24)25-3)15-19-11-6-4-5-7-12(11)20-15/h4-7,9-10,19-20H,8H2,1-3H3