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

Systemtic Name: ethyl 2-[[5-[[(4-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4O2S/c1-3-26-19(25)14-27-20-23-22-18(24(20)17-7-5-4-6-8-17)13-21-16-11-9-15(2)10-12-16/h4-12,21H,3,13-14H2,1-2H3