methyl N-(4-cyanophenyl)-N'-[phenyl(pyridin-3-yl)methyl]carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-[phenyl(pyridin-3-yl)methyl]carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-[phenyl(3-pyridyl)methyl]isothiourea CAS Name: N-(4-cyanophenyl)-N'-[phenyl(3-pyridinyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-[phenyl(pyridin-3-yl)methyl]carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2-methyl-3-[phenyl(3-pyridyl)methyl]isothiourea Formula: C21H18N4S MolecularWeight: 358.45942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(C1=CC=CC=C1)C2=CN=CC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC(=NC(C1=CC=CC=C1)C2=CN=CC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4S/c1-26-21(24-19-11-9-16(14-22)10-12-19)25-20(17-6-3-2-4-7-17)18-8-5-13-23-15-18/h2-13,15,20H,1H3,(H,24,25)