2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-nitrobenzyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N3O2S/c18-10-14-9-13-3-1-2-4-16(13)19-17(14)23-11-12-5-7-15(8-6-12)20(21)22/h5-9H,1-4,11H2