7-chloranyl-5-propylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-propylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-propylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(propylthio)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-propylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(propylthio)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C13H12ClF3N2OS MolecularWeight: 336.76039

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCCSC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H12ClF3N2OS/c1-2-5-21-12(13(15,16)17)7-18-11(20)19-10-4-3-8(14)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,19,20)