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

Systemtic Name: 1-(4-butylphenyl)-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3,4-bis[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3,4-bis[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C26H21Cl2NO2S2 MolecularWeight: 514.48644

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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)Cl)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21Cl2NO2S2/c1-2-3-4-17-5-11-20(12-6-17)29-25(30)23(32-21-13-7-18(27)8-14-21)24(26(29)31)33-22-15-9-19(28)10-16-22/h5-16H,2-4H2,1H3