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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H15N5O3S2/c1-26-17(25)14(16-19-10-5-2-3-6-11(10)20-16)12(24)9-28-18-21-15(22-23-18)13-7-4-8-27-13/h2-8,19-20H,9H2,1H3,(H,21,22,23)