N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide Formula: C17H12F3N3OS2 MolecularWeight: 395.42189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3OS2/c18-17(19,20)13-8-4-7-12(9-13)14(24)21-15-22-23-16(26-15)25-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,21,22,24)