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

Systemtic Name: ethyl 2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(p-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(p-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1N2C=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1N2C=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N4O2S/c1-3-23-15(22)12-24-17-19-18-16(14-8-6-13(2)7-9-14)21(17)20-10-4-5-11-20/h4-11H,3,12H2,1-2H3