methyl N'-(furan-2-ylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate

Systemtic Name: methyl N'-(furan-2-ylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Openeye Name: 3-(2-furylmethyl)-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea CAS Name: N'-(2-furanylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(furan-2-ylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)carbamimidothioate Traditional Name: 3-(2-furfuryl)-2-methyl-1-(5-phenyl-1H-pyrazol-3-yl)isothiourea Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CO1)NC2=NNC(=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=NCC1=CC=CO1)NC2=NNC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-22-16(17-11-13-8-5-9-21-13)18-15-10-14(19-20-15)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,17,18,19,20)