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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2N

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2N

InChI

InChI=1S/C15H19N5O3S/c1-2-3-8-23-14(22)11-6-4-5-7-12(11)18-13(21)9-24-15-19-17-10-20(15)16/h4-7,10H,2-3,8-9,16H2,1H3,(H,18,21)