1-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C16H12F3N5OS2 MolecularWeight: 411.42459

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N5OS2/c1-2-8-26-15-23-22-14(27-15)21-13(25)11-9-20-24(12(11)16(17,18)19)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,21,22,25)