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

Systemtic Name: (phenylmethyl) 2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-17-9-11-19(12-10-17)21-23-24-22(26(21)25-13-5-6-14-25)29-16-20(27)28-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3