(3-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate

Systemtic Name: (3-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate Openeye Name: 1-cyano-3-(2-fluorophenyl)-2-(m-tolylmethyl)isothiourea CAS Name: N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate Traditional Name: 1-cyano-3-(2-fluorophenyl)-2-(3-methylbenzyl)isothiourea Formula: C16H14FN3S MolecularWeight: 299.365863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC(=NC2=CC=CC=C2F)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)CSC(=NC2=CC=CC=C2F)NC#N

InChI

InChI=1S/C16H14FN3S/c1-12-5-4-6-13(9-12)10-21-16(19-11-18)20-15-8-3-2-7-14(15)17/h2-9H,10H2,1H3,(H,19,20)