methyl N-(4-cyanophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-(2-furylmethyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2-furanylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(furan-2-ylmethyl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-(2-furfuryl)-2-methyl-isothiourea Formula: C14H13N3OS MolecularWeight: 271.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CO1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NCC1=CC=CO1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N3OS/c1-19-14(16-10-13-3-2-8-18-13)17-12-6-4-11(9-15)5-7-12/h2-8H,10H2,1H3,(H,16,17)