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

Systemtic Name: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-methyl-2-[(2-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-methyl-2-[(2-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-methyl-2-[(2-nitrobenzyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C18H17N3O2S/c1-12-6-7-16-14(8-12)9-15(10-19)18(20-16)24-11-13-4-2-3-5-17(13)21(22)23/h2-5,9,12H,6-8,11H2,1H3