4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzenecarbonitrile Openeye Name: 4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzonitrile CAS Name: 4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzonitrile IUPAC Name: 4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzonitrile Traditional Name: 4-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(4-cyanophenyl)ethyl]benzonitrile Formula: C30H16N2S4 MolecularWeight: 532.72144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=C(C3=CC=C(C=C3)C#N)C(=C4SC5=CC=CC=C5S4)C6=CC=C(C=C6)C#N)S2

Isomeric SMILES

C1=CC=C2C(=C1)SC(=C(C3=CC=C(C=C3)C#N)C(=C4SC5=CC=CC=C5S4)C6=CC=C(C=C6)C#N)S2

InChI

InChI=1S/C30H16N2S4/c31-17-19-9-13-21(14-10-19)27(29-33-23-5-1-2-6-24(23)34-29)28(22-15-11-20(18-32)12-16-22)30-35-25-7-3-4-8-26(25)36-30/h1-16H