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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

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