4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-15-9-6-7-12-17(15)19-21-22-20(23(19)2)25-14-8-13-18(24)16-10-4-3-5-11-16/h3-7,9-12H,8,13-14H2,1-2H3