7-chloranyl-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione

Systemtic Name: 7-chloranyl-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione Openeye Name: 7-chloro-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione CAS Name: 7-chloro-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione IUPAC Name: 7-chloro-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione Traditional Name: 7-chloro-1-(2,2-dimethoxyethyl)-5-phenyl-3H-1,4-benzodiazepine-2-thione Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)OC

Isomeric SMILES

COC(CN1C(=S)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H19ClN2O2S/c1-23-18(24-2)12-22-16-9-8-14(20)10-15(16)19(21-11-17(22)25)13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3