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

Systemtic Name: methyl 4-[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-3-4-5-13-18-16(20-19-13)24-10-14(21)17-12-8-6-11(7-9-12)15(22)23-2/h6-9H,3-5,10H2,1-2H3,(H,17,21)(H,18,19,20)