3-methyl-6-(4-nitrophenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-methyl-6-(4-nitrophenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-methyl-6-(4-nitrophenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-methyl-6-[(4-nitrophenyl)thio]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-methyl-6-(4-nitrophenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-methyl-6-[(4-nitrophenyl)thio]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-18-8-6-11-10-15(20)16(21)17(14(11)7-9-18)24-13-4-2-12(3-5-13)19(22)23/h2-5,10,20-21H,6-9H2,1H3