6-chloranyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one

Systemtic Name: 6-chloranyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one Openeye Name: 6-chloro-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one CAS Name: 6-chloro-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one Traditional Name: 6-chloro-3-[4-[3-(trifluoromethyl)phenyl]piperazino]thiochromen-4-one Formula: C20H16ClF3N2OS MolecularWeight: 424.86705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CSC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CSC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C20H16ClF3N2OS/c21-14-4-5-18-16(11-14)19(27)17(12-28-18)26-8-6-25(7-9-26)15-3-1-2-13(10-15)20(22,23)24/h1-5,10-12H,6-9H2