8-nitro-7-(phenylmethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 8-nitro-7-(phenylmethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzylsulfanyl-8-nitro-1,2,3,4-tetrahydroisoquinoline CAS Name: 8-nitro-7-(phenylmethylthio)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 7-benzylsulfanyl-8-nitro-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-(benzylthio)-8-nitro-1,2,3,4-tetrahydroisoquinoline Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1CNCC2=C1C=CC(=C2[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2S/c19-18(20)16-14-10-17-9-8-13(14)6-7-15(16)21-11-12-4-2-1-3-5-12/h1-7,17H,8-11H2