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

Systemtic Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(C)(C)C

InChI

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