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

Systemtic Name: methyl 4-[2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-4-5-6-14-19-20-17(21(14)2)25-11-15(22)18-13-9-7-12(8-10-13)16(23)24-3/h7-10H,4-6,11H2,1-3H3,(H,18,22)