4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Openeye Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C22H24N2OS2 MolecularWeight: 396.56876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C3SCC4=CC(=C(C=C4CS3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C3SCC4=CC(=C(C=C4CS3)C)C

InChI

InChI=1S/C22H24N2OS2/c1-13-5-7-19(8-6-13)24-21(25)20(16(4)23-24)22-26-11-17-9-14(2)15(3)10-18(17)12-27-22/h5-10,22-23H,11-12H2,1-4H3