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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

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