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

Systemtic Name: methyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O3S/c1-23-12(22)10(9(21)6-24-14-18-13(15)19-20-14)11-16-7-4-2-3-5-8(7)17-11/h2-5,16-17H,6H2,1H3,(H3,15,18,19,20)