7-chloranyl-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 7-chloranyl-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl)OC

InChI

InChI=1S/C17H15ClN2O2S/c1-21-14-6-3-10(7-15(14)22-2)17-12-8-11(18)4-5-13(12)20-16(23)9-19-17/h3-8H,9H2,1-2H3,(H,20,23)