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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C

InChI

InChI=1S/C16H20N4O3S/c1-4-9-23-15(22)12-5-7-13(8-6-12)17-14(21)10-24-16-19-18-11(2)20(16)3/h5-8H,4,9-10H2,1-3H3,(H,17,21)