2-methylpropyl 4-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isobutyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2N

InChI

InChI=1S/C15H19N5O3S/c1-10(2)7-23-14(22)11-3-5-12(6-4-11)18-13(21)8-24-15-19-17-9-20(15)16/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,21)