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

Systemtic Name: 7-chloranyl-3-cyclopropyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Openeye Name: 5-allylsulfanyl-7-chloro-3-cyclopropyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one CAS Name: 7-chloro-3-cyclopropyl-5-(prop-2-enylthio)-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-3-cyclopropyl-5-prop-2-enylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Traditional Name: 5-(allylthio)-7-chloro-3-cyclopropyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Formula: C16H16ClF3N2OS MolecularWeight: 376.82425

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1(CN(C(=O)NC2=C1C=C(C=C2)Cl)C3CC3)C(F)(F)F

Isomeric SMILES

C=CCSC1(CN(C(=O)NC2=C1C=C(C=C2)Cl)C3CC3)C(F)(F)F

InChI

InChI=1S/C16H16ClF3N2OS/c1-2-7-24-15(16(18,19)20)9-22(11-4-5-11)14(23)21-13-6-3-10(17)8-12(13)15/h2-3,6,8,11H,1,4-5,7,9H2,(H,21,23)