ethyl 2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2CC=C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2CC=C

InChI

InChI=1S/C16H18N4O3S/c1-3-9-20-11-17-19-16(20)24-10-14(21)18-13-8-6-5-7-12(13)15(22)23-4-2/h3,5-8,11H,1,4,9-10H2,2H3,(H,18,21)