propan-2-yl 4-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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