1-(4-ethylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

InChI

InChI=1S/C20H21N3OS/c1-4-15-9-11-16(12-10-15)18(24)13-25-20-22-21-19(23(20)3)17-8-6-5-7-14(17)2/h5-12H,4,13H2,1-3H3