N-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H11ClF3N5OS2 MolecularWeight: 457.88035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H11ClF3N5OS2/c18-13-6-5-11(7-12(13)17(19,20)21)24-16(28)23-10-3-1-9(2-4-10)22-15(27)14-8-29-26-25-14/h1-8H,(H,22,27)(H2,23,24,28)