3,6-diethyl-4,5-bis(phenylmethylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-diethyl-4,5-bis(phenylmethylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(benzylsulfanyl)-3,6-diethyl-phthalonitrile CAS Name: 3,6-diethyl-4,5-bis(phenylmethylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(benzylsulfanyl)-3,6-diethylbenzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(benzylthio)-3,6-diethyl-phthalonitrile Formula: C26H24N2S2 MolecularWeight: 428.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C#N)C#N)CC)SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C(=C1C#N)C#N)CC)SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C26H24N2S2/c1-3-21-23(15-27)24(16-28)22(4-2)26(30-18-20-13-9-6-10-14-20)25(21)29-17-19-11-7-5-8-12-19/h5-14H,3-4,17-18H2,1-2H3