7-chloranyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 7-chloranyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine Openeye Name: 7-chloro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine CAS Name: 7-chloro-4-[[3-(trifluoromethyl)phenyl]methylthio]-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 7-chloro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine Traditional Name: 7-chloro-4-[[3-(trifluoromethyl)benzyl]thio]-2,3-dihydro-1,5-benzothiazepine Formula: C17H13ClF3NS2 MolecularWeight: 387.87003

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CSC2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13ClF3NS2/c18-13-4-5-15-14(9-13)22-16(6-7-23-15)24-10-11-2-1-3-12(8-11)17(19,20)21/h1-5,8-9H,6-7,10H2