6-chloranyl-3-methyl-7-nitro-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 6-chloranyl-3-methyl-7-nitro-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 6-chloro-3-methyl-7-nitro-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 6-chloro-3-methyl-7-nitro-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 6-chloro-3-methyl-7-nitro-9-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 6-chloro-3-methyl-7-nitro-9-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S/c1-19-9-7-13-14(8-10-19)17(18)15(20(21)22)11-16(13)23-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3