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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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