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

Systemtic Name: ethyl 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-3-24-17(23)13-25-19-21-20-18(15-9-7-8-14(2)12-15)22(19)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3