[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-yl-carbamimidothioate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-yl-carbamimidothioate Openeye Name: 1-cyano-3-isopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]isothiourea CAS Name: N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-propan-2-ylcarbamimidothioate Traditional Name: 1-cyano-3-isopropyl-2-[2-(trifluoromethyl)benzyl]isothiourea Formula: C13H14F3N3S MolecularWeight: 301.33057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)SCC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC(C)N=C(NC#N)SCC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H14F3N3S/c1-9(2)19-12(18-8-17)20-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7H2,1-2H3,(H,18,19)