2-[(4-cyclohexylsulfanyl-3-nitro-phenyl)methylidene]propanedinitrile

Systemtic Name: 2-[(4-cyclohexylsulfanyl-3-nitro-phenyl)methylidene]propanedinitrile Openeye Name: 2-[(4-cyclohexylsulfanyl-3-nitro-phenyl)methylene]propanedinitrile CAS Name: 2-[[4-(cyclohexylthio)-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[(4-cyclohexylsulfanyl-3-nitrophenyl)methylidene]propanedinitrile Traditional Name: 2-[4-(cyclohexylthio)-3-nitro-benzylidene]malononitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c17-10-13(11-18)8-12-6-7-16(15(9-12)19(20)21)22-14-4-2-1-3-5-14/h6-9,14H,1-5H2