prop-2-enyl N'-(phenylmethyl)-N-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-carbamimidothioate

Systemtic Name: prop-2-enyl N'-(phenylmethyl)-N-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-carbamimidothioate Openeye Name: N-(C-allylsulfanyl-N-benzyl-carbonimidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[oxo-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N'-(phenylmethyl)carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-benzyl-N-[4-(trifluoromethyl)pyridine-3-carbonyl]carbamimidothioate Traditional Name: N-[C-(allylthio)-N-benzyl-carbonimidoyl]-4-(trifluoromethyl)nicotinamide Formula: C18H16F3N3OS MolecularWeight: 379.39935

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=NCC1=CC=CC=C1)NC(=O)C2=C(C=CN=C2)C(F)(F)F

Isomeric SMILES

C=CCSC(=NCC1=CC=CC=C1)NC(=O)C2=C(C=CN=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3OS/c1-2-10-26-17(23-11-13-6-4-3-5-7-13)24-16(25)14-12-22-9-8-15(14)18(19,20)21/h2-9,12H,1,10-11H2,(H,23,24,25)