3,4,5,6-tetrakis[(4-tert-butylphenyl)sulfanylmethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3,4,5,6-tetrakis[(4-tert-butylphenyl)sulfanylmethyl]benzene-1,2-dicarbonitrile Openeye Name: 3,4,5,6-tetrakis[(4-tert-butylphenyl)sulfanylmethyl]phthalonitrile CAS Name: 3,4,5,6-tetrakis[[(4-tert-butylphenyl)thio]methyl]benzene-1,2-dicarbonitrile IUPAC Name: 3,4,5,6-tetrakis[(4-tert-butylphenyl)sulfanylmethyl]benzene-1,2-dicarbonitrile Traditional Name: 3,4,5,6-tetrakis[[(4-tert-butylphenyl)thio]methyl]phthalonitrile Formula: C52H60N2S4 MolecularWeight: 841.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C(=C(C(=C2CSC3=CC=C(C=C3)C(C)(C)C)CSC4=CC=C(C=C4)C(C)(C)C)C#N)C#N)CSC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C(=C(C(=C2CSC3=CC=C(C=C3)C(C)(C)C)CSC4=CC=C(C=C4)C(C)(C)C)C#N)C#N)CSC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C52H60N2S4/c1-49(2,3)35-13-21-39(22-14-35)55-31-45-43(29-53)44(30-54)46(32-56-40-23-15-36(16-24-40)50(4,5)6)48(34-58-42-27-19-38(20-28-42)52(10,11)12)47(45)33-57-41-25-17-37(18-26-41)51(7,8)9/h13-28H,31-34H2,1-12H3