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

Systemtic Name: propan-2-yl 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-9(2)21-13(20)10-3-5-11(6-4-10)17-12(19)7-22-14-15-8-16-18-14/h3-6,8-9H,7H2,1-2H3,(H,17,19)(H,15,16,18)