(3S)-3-methyl-4-(3-methylbut-2-enyl)-6-methylsulfanyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-6-methylsulfanyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-6-methylsulfanyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-6-(methylthio)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-6-methylsulfanyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-6-(methylthio)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=CC(=C2CN1CC=C(C)C)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(C=CC(=C2CN1CC=C(C)C)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O2S/c1-11(2)7-8-18-10-13-15(22-4)6-5-14(19(20)21)16(13)17-9-12(18)3/h5-7,12,17H,8-10H2,1-4H3/t12-/m0/s1