3-(butylamino)-6-chloranyl-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(butylamino)-6-chloranyl-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(butylamino)-6-chloro-4,5-bis(phenylsulfanyl)phthalonitrile CAS Name: 3-(butylamino)-6-chloro-4,5-bis(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-(butylamino)-6-chloro-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(butylamino)-6-chloro-4,5-bis(phenylthio)phthalonitrile Formula: C24H20ClN3S2 MolecularWeight: 450.0187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C(=C1C#N)C#N)Cl)SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=C(C(=C1C#N)C#N)Cl)SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H20ClN3S2/c1-2-3-14-28-22-20(16-27)19(15-26)21(25)23(29-17-10-6-4-7-11-17)24(22)30-18-12-8-5-9-13-18/h4-13,28H,2-3,14H2,1H3