7-chloranyl-2-methylsulfanyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-2-methylsulfanyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine Openeye Name: 7-chloro-2-methylsulfanyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine CAS Name: 7-chloro-2-(methylthio)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine IUPAC Name: 7-chloro-2-methylsulfanyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine Traditional Name: 7-chloro-2-(methylthio)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepine Formula: C14H12ClN3S MolecularWeight: 289.78318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

Isomeric SMILES

CSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

InChI

InChI=1S/C14H12ClN3S/c1-19-13-8-17-14(12-3-2-6-16-12)10-7-9(15)4-5-11(10)18-13/h2-7,16H,8H2,1H3