2-(4-nitrophenyl)sulfanylcycloheptane-1-carbonitrile

Systemtic Name: 2-(4-nitrophenyl)sulfanylcycloheptane-1-carbonitrile Openeye Name: 2-(4-nitrophenyl)sulfanylcycloheptanecarbonitrile CAS Name: 2-[(4-nitrophenyl)thio]-1-cycloheptanecarbonitrile IUPAC Name: 2-(4-nitrophenyl)sulfanylcycloheptane-1-carbonitrile Traditional Name: 2-[(4-nitrophenyl)thio]cycloheptanecarbonitrile Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2S/c15-10-11-4-2-1-3-5-14(11)19-13-8-6-12(7-9-13)16(17)18/h6-9,11,14H,1-5H2