1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C(C)(C)C)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C(C)(C)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25N3OS/c1-15-6-10-17(11-7-15)20-21(18-12-8-16(2)9-13-18)25-26-22(24-20)28-14-19(27)23(3,4)5/h6-13H,14H2,1-5H3