2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[(4-nitrophenyl)methylthio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[(4-nitrobenzyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c19-11-15-10-14-4-2-1-3-5-17(14)20-18(15)24-12-13-6-8-16(9-7-13)21(22)23/h6-10H,1-5,12H2