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

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

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

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