3,6-dipentoxy-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-dipentoxy-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-dipentoxy-4,5-bis(phenylsulfanyl)phthalonitrile CAS Name: 3,6-dipentoxy-4,5-bis(phenylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-dipentoxy-4,5-bis(phenylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-diamoxy-4,5-bis(phenylthio)phthalonitrile Formula: C30H32N2O2S2 MolecularWeight: 516.71728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCCC)SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCCC)SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C30H32N2O2S2/c1-3-5-13-19-33-27-25(21-31)26(22-32)28(34-20-14-6-4-2)30(36-24-17-11-8-12-18-24)29(27)35-23-15-9-7-10-16-23/h7-12,15-18H,3-6,13-14,19-20H2,1-2H3