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

Systemtic Name: ethyl 2-[2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2N3C=CC=C3

InChI

InChI=1S/C17H17N5O3S/c1-2-25-16(24)13-7-3-4-8-14(13)19-15(23)11-26-17-20-18-12-22(17)21-9-5-6-10-21/h3-10,12H,2,11H2,1H3,(H,19,23)