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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-oxo-4-phenethyl-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-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4S/c1-31-20(29)18(19-23-15-9-5-6-10-16(15)24-19)17(28)13-32-22-26-25-21(30)27(22)12-11-14-7-3-2-4-8-14/h2-10,23-24H,11-13H2,1H3,(H,25,30)