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

Systemtic Name: ethyl 4-[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H23N5O3S/c1-3-7-17-22-23-20(25(17)24-12-5-6-13-24)29-14-18(26)21-16-10-8-15(9-11-16)19(27)28-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,26)