2-[3,3-bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile

Systemtic Name: 2-[3,3-bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile Openeye Name: 2-[3,3-bis(p-tolyl)-2-benzothiophen-1-ylidene]propanedinitrile CAS Name: 2-[3,3-bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile IUPAC Name: 2-[3,3-bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile Traditional Name: 2-[3,3-bis(p-tolyl)isobenzothiophen-1-ylidene]malononitrile Formula: C25H18N2S MolecularWeight: 378.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C#N)S2)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C#N)S2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H18N2S/c1-17-7-11-20(12-8-17)25(21-13-9-18(2)10-14-21)23-6-4-3-5-22(23)24(28-25)19(15-26)16-27/h3-14H,1-2H3