3-methyl-8-nitro-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-methyl-8-nitro-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-methyl-8-nitro-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-methyl-8-nitro-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-methyl-8-nitro-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-methyl-8-nitro-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=CC(=C2CC1)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=CC(=CC(=C2CC1)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O2S/c1-18-9-7-13-11-14(19(20)21)12-17(16(13)8-10-18)22-15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3