[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(4-ethoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]isothiourea CAS Name: N-cyano-N'-(4-ethoxyphenyl)carbamimidothioic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 1-cyano-3-p-phenetyl-2-[2-(trifluoromethyl)benzyl]isothiourea Formula: C18H16F3N3OS MolecularWeight: 379.39935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H16F3N3OS/c1-2-25-15-9-7-14(8-10-15)24-17(23-12-22)26-11-13-5-3-4-6-16(13)18(19,20)21/h3-10H,2,11H2,1H3,(H,23,24)