3-[bis(phenylmethyl)amino]-1-(4-butylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[bis(phenylmethyl)amino]-1-(4-butylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(dibenzylamino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[bis(phenylmethyl)amino]-1-(4-butylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(dibenzylamino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(dibenzylamino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C35H34N2O2S MolecularWeight: 546.72166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C35H34N2O2S/c1-3-4-11-27-18-20-30(21-19-27)37-34(38)32(33(35(37)39)40-31-22-16-26(2)17-23-31)36(24-28-12-7-5-8-13-28)25-29-14-9-6-10-15-29/h5-10,12-23H,3-4,11,24-25H2,1-2H3