(4-cyanophenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4-cyanophenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(4-cyanobenzyl)isothiourea Formula: C15H11ClFN3S MolecularWeight: 319.784343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)C#N

InChI

InChI=1S/C15H11ClFN3S/c16-13-7-12(5-6-14(13)17)20-15(19)21-9-11-3-1-10(8-18)2-4-11/h1-7H,9H2,(H2,19,20)