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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-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-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-28-19(27)16(18-21-13-9-5-6-10-14(13)22-18)15(26)11-29-20-23-17(24-25-20)12-7-3-2-4-8-12/h2-10,21-22H,11H2,1H3,(H,23,24,25)