3-(cyclohexylamino)-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4CCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-3-18-11-13-20(14-12-18)27-24(28)22(26-19-7-5-4-6-8-19)23(25(27)29)30-21-15-9-17(2)10-16-21/h9-16,19,26H,3-8H2,1-2H3