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

Systemtic Name: 7-chloranyl-5-phenyl-2-(phenylmethylsulfanyl)-3H-1,4-benzodiazepine Openeye Name: 2-benzylsulfanyl-7-chloro-5-phenyl-3H-1,4-benzodiazepine CAS Name: 7-chloro-5-phenyl-2-(phenylmethylthio)-3H-1,4-benzodiazepine IUPAC Name: 2-benzylsulfanyl-7-chloro-5-phenyl-3H-1,4-benzodiazepine Traditional Name: 2-(benzylthio)-7-chloro-5-phenyl-3H-1,4-benzodiazepine Formula: C22H17ClN2S MolecularWeight: 376.90178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H17ClN2S/c23-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)24-14-21(25-20)26-15-16-7-3-1-4-8-16/h1-13H,14-15H2