3-(butylamino)-6-chloranyl-4,5-bis[(2-chlorophenyl)sulfanyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-(butylamino)-6-chloranyl-4,5-bis[(2-chlorophenyl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(butylamino)-6-chloro-4,5-bis[(2-chlorophenyl)sulfanyl]phthalonitrile CAS Name: 3-(butylamino)-6-chloro-4,5-bis[(2-chlorophenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-(butylamino)-6-chloro-4,5-bis[(2-chlorophenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(butylamino)-6-chloro-4,5-bis[(2-chlorophenyl)thio]phthalonitrile Formula: C24H18Cl3N3S2 MolecularWeight: 518.90882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C(=C1C#N)C#N)Cl)SC2=CC=CC=C2Cl)SC3=CC=CC=C3Cl

Isomeric SMILES

CCCCNC1=C(C(=C(C(=C1C#N)C#N)Cl)SC2=CC=CC=C2Cl)SC3=CC=CC=C3Cl

InChI

InChI=1S/C24H18Cl3N3S2/c1-2-3-12-30-22-16(14-29)15(13-28)21(27)23(31-19-10-6-4-8-17(19)25)24(22)32-20-11-7-5-9-18(20)26/h4-11,30H,2-3,12H2,1H3