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

Systemtic Name: 7-chloranyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 5-allylsulfanyl-7-chloro-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(prop-2-enylthio)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 5-(allylthio)-7-chloro-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C13H10ClF3N2OS MolecularWeight: 334.74451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C=CCSC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H10ClF3N2OS/c1-2-5-21-12(13(15,16)17)7-18-11(20)19-10-4-3-8(14)6-9(10)12/h2-4,6-7H,1,5H2,(H,19,20)