2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]-N,N-dimethyl-ethanamine CAS Name: 2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)thio]-N,N-dimethylethanamine IUPAC Name: 2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]-N,N-dimethylethanamine Traditional Name: 2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)thio]ethyl-dimethyl-amine Formula: C19H20ClN3S MolecularWeight: 357.9002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3S/c1-23(2)10-11-24-18-13-21-19(14-6-4-3-5-7-14)16-12-15(20)8-9-17(16)22-18/h3-9,12H,10-11,13H2,1-2H3