4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-bis(phenylsulfanyl)phthalonitrile CAS Name: 4,5-bis[(4-tert-butylphenyl)thio]-3,6-bis(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis[(4-tert-butylphenyl)sulfanyl]-3,6-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis[(4-tert-butylphenyl)thio]-3,6-bis(phenylthio)phthalonitrile Formula: C40H36N2S4 MolecularWeight: 672.98724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C(C)(C)C)SC4=CC=CC=C4)C#N)C#N)SC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C(C)(C)C)SC4=CC=CC=C4)C#N)C#N)SC5=CC=CC=C5

InChI

InChI=1S/C40H36N2S4/c1-39(2,3)27-17-21-31(22-18-27)45-37-35(43-29-13-9-7-10-14-29)33(25-41)34(26-42)36(44-30-15-11-8-12-16-30)38(37)46-32-23-19-28(20-24-32)40(4,5)6/h7-24H,1-6H3