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

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

InChI

InChI=1S/C21H23N3OS/c1-4-7-16-10-12-17(13-11-16)19(25)14-26-21-23-22-20(24(21)3)18-9-6-5-8-15(18)2/h5-6,8-13H,4,7,14H2,1-3H3