butyl 4-[2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]acetyl]amino]benzoic acid butyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC(=O)NN2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC(=O)NN2

InChI

InChI=1S/C16H20N4O4S/c1-2-3-8-24-15(22)11-4-6-12(7-5-11)17-14(21)10-25-9-13-18-16(23)20-19-13/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H2,18,19,20,23)