5-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepine

Systemtic Name: 5-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepine Openeye Name: 5-phenyl-2-[2-(1-piperidyl)ethylsulfanyl]-7-(trifluoromethyl)-3H-1,4-benzodiazepine CAS Name: 5-phenyl-2-[2-(1-piperidinyl)ethylthio]-7-(trifluoromethyl)-3H-1,4-benzodiazepine IUPAC Name: 5-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepine Traditional Name: 5-phenyl-2-(2-piperidinoethylthio)-7-(trifluoromethyl)-3H-1,4-benzodiazepine Formula: C23H24F3N3S MolecularWeight: 431.51697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC3=C(C=C(C=C3)C(F)(F)F)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NC3=C(C=C(C=C3)C(F)(F)F)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C23H24F3N3S/c24-23(25,26)18-9-10-20-19(15-18)22(17-7-3-1-4-8-17)27-16-21(28-20)30-14-13-29-11-5-2-6-12-29/h1,3-4,7-10,15H,2,5-6,11-14,16H2