2-[2,3-bis(phenylsulfanyl)cyclohex-3-en-1-yl]propanedinitrile

Systemtic Name: 2-[2,3-bis(phenylsulfanyl)cyclohex-3-en-1-yl]propanedinitrile Openeye Name: 2-[2,3-bis(phenylsulfanyl)cyclohex-3-en-1-yl]propanedinitrile CAS Name: 2-[2,3-bis(phenylthio)-1-cyclohex-3-enyl]propanedinitrile IUPAC Name: 2-[2,3-bis(phenylsulfanyl)cyclohex-3-en-1-yl]propanedinitrile Traditional Name: 2-[2,3-bis(phenylthio)cyclohex-3-en-1-yl]malononitrile Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=C1)SC2=CC=CC=C2)SC3=CC=CC=C3)C(C#N)C#N

Isomeric SMILES

C1CC(C(C(=C1)SC2=CC=CC=C2)SC3=CC=CC=C3)C(C#N)C#N

InChI

InChI=1S/C21H18N2S2/c22-14-16(15-23)19-12-7-13-20(24-17-8-3-1-4-9-17)21(19)25-18-10-5-2-6-11-18/h1-6,8-11,13,16,19,21H,7,12H2