3-(azepan-1-yl)-1-(2,4-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(2,4-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(2,4-dimethylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(2,4-dimethylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(2,4-dimethylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(2,4-dimethylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)C)C)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)C)C)N4CCCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-17-8-11-20(12-9-17)30-23-22(26-14-6-4-5-7-15-26)24(28)27(25(23)29)21-13-10-18(2)16-19(21)3/h8-13,16H,4-7,14-15H2,1-3H3