(2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 1-cyano-2-(o-tolylmethyl)-3-[3-(trifluoromethyl)phenyl]isothiourea CAS Name: N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 1-cyano-2-(2-methylbenzyl)-3-[3-(trifluoromethyl)phenyl]isothiourea Formula: C17H14F3N3S MolecularWeight: 349.37337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=NC2=CC=CC(=C2)C(F)(F)F)NC#N

Isomeric SMILES

CC1=CC=CC=C1CSC(=NC2=CC=CC(=C2)C(F)(F)F)NC#N

InChI

InChI=1S/C17H14F3N3S/c1-12-5-2-3-6-13(12)10-24-16(22-11-21)23-15-8-4-7-14(9-15)17(18,19)20/h2-9H,10H2,1H3,(H,22,23)