3-methyl-8-nitro-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride

Systemtic Name: 3-methyl-8-nitro-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Openeye Name: 3-methyl-8-nitro-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride CAS Name: 3-methyl-8-nitro-7-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride IUPAC Name: 3-methyl-8-nitro-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Traditional Name: 3-methyl-8-nitro-7-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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