butyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NN2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C15H18N4O3S/c1-2-3-8-22-14(21)11-4-6-12(7-5-11)18-13(20)9-23-15-16-10-17-19-15/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)(H,16,17,19)