2,6-bis(4-methoxyphenyl)-3,5-bis(phenylcarbonyl)thiane-4,4-dicarbonitrile

Systemtic Name: 2,6-bis(4-methoxyphenyl)-3,5-bis(phenylcarbonyl)thiane-4,4-dicarbonitrile Openeye Name: 3,5-dibenzoyl-2,6-bis(4-methoxyphenyl)tetrahydrothiopyran-4,4-dicarbonitrile CAS Name: 3,5-dibenzoyl-2,6-bis(4-methoxyphenyl)thiane-4,4-dicarbonitrile IUPAC Name: 3,5-dibenzoyl-2,6-bis(4-methoxyphenyl)thiane-4,4-dicarbonitrile Traditional Name: 3,5-dibenzoyl-2,6-bis(4-methoxyphenyl)tetrahydrothiopyran-4,4-dicarbonitrile Formula: C35H28N2O4S MolecularWeight: 572.67282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C(C(S2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4)(C#N)C#N)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(C(C(S2)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4)(C#N)C#N)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H28N2O4S/c1-40-27-17-13-25(14-18-27)33-29(31(38)23-9-5-3-6-10-23)35(21-36,22-37)30(32(39)24-11-7-4-8-12-24)34(42-33)26-15-19-28(41-2)20-16-26/h3-20,29-30,33-34H,1-2H3