1-(4-butylphenyl)-3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chloro-2-methoxy-5-methyl-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-chloro-2-methoxy-5-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chloro-2-methoxy-5-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(4-chloro-2-methoxy-5-methyl-anilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O3S MolecularWeight: 507.04358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=C(C(=C4)C)Cl)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=C(C(=C4)C)Cl)OC

InChI

InChI=1S/C28H27ClN2O3S/c1-4-5-9-19-12-14-20(15-13-19)31-27(32)25(26(28(31)33)35-21-10-7-6-8-11-21)30-23-16-18(2)22(29)17-24(23)34-3/h6-8,10-17,30H,4-5,9H2,1-3H3