2-(3-chloranyl-5-ethylsulfanyl-phenyl)-N-(3-iodanylphenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: 2-(3-chloranyl-5-ethylsulfanyl-phenyl)-N-(3-iodanylphenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: 2-(3-chloro-5-ethylsulfanyl-phenyl)-N-(3-iodophenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: 2-[3-chloro-5-(ethylthio)phenyl]-N-(3-iodophenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: 2-(3-chloro-5-ethylsulfanylphenyl)-N-(3-iodophenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: 2-[3-chloro-5-(ethylthio)phenyl]-N-(3-iodophenyl)-5-(trifluoromethyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C23H17ClF3IN2S3 MolecularWeight: 636.94216

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CC(=C1)C2N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=S)NC4=CC(=CC=C4)I)Cl

Isomeric SMILES

CCSC1=CC(=CC(=C1)C2N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=S)NC4=CC(=CC=C4)I)Cl

InChI

InChI=1S/C23H17ClF3IN2S3/c1-2-32-18-9-13(8-15(24)11-18)21-30(22(31)29-17-5-3-4-16(28)12-17)19-10-14(23(25,26)27)6-7-20(19)33-21/h3-12,21H,2H2,1H3,(H,29,31)