7-chloranyl-3-ethyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-ethyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Openeye Name: 5-allylsulfanyl-7-chloro-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one CAS Name: 7-chloro-3-ethyl-5-(prop-2-enylthio)-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-3-ethyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Traditional Name: 5-(allylthio)-7-chloro-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Formula: C15H16ClF3N2OS MolecularWeight: 364.81355

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C(F)(F)F)SCC=C

Isomeric SMILES

CCN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C(F)(F)F)SCC=C

InChI

InChI=1S/C15H16ClF3N2OS/c1-3-7-23-14(15(17,18)19)9-21(4-2)13(22)20-12-6-5-10(16)8-11(12)14/h3,5-6,8H,1,4,7,9H2,2H3,(H,20,22)