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

Systemtic Name: 7-chloranyl-5-(cyclopropylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(cyclopropylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(cyclopropylmethylthio)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(cyclopropylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(cyclopropylmethylthio)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C14H12ClF3N2OS MolecularWeight: 348.77109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC1CSC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C14H12ClF3N2OS/c15-9-3-4-11-10(5-9)13(14(16,17)18,7-19-12(21)20-11)22-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,20,21)