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

Systemtic Name: 7-chloranyl-3-cyclopropyl-5-propylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-3-cyclopropyl-5-propylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one CAS Name: 7-chloro-3-cyclopropyl-5-(propylthio)-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-3-cyclopropyl-5-propylsulfanyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-3-cyclopropyl-5-(propylthio)-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Formula: C16H18ClF3N2OS MolecularWeight: 378.84013

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(CN(C(=O)NC2=C1C=C(C=C2)Cl)C3CC3)C(F)(F)F

Isomeric SMILES

CCCSC1(CN(C(=O)NC2=C1C=C(C=C2)Cl)C3CC3)C(F)(F)F

InChI

InChI=1S/C16H18ClF3N2OS/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/h3,6,8,11H,2,4-5,7,9H2,1H3,(H,21,23)