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

Systemtic Name: ethyl 2-[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C19H21N5O3S/c1-3-16-21-22-19(24(16)23-11-7-8-12-23)28-13-17(25)20-15-10-6-5-9-14(15)18(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,25)