3-(3-cyanophenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(3-cyanophenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(3-cyanophenyl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(3-cyanophenyl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(3-cyanophenyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(3-cyanophenyl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C20H17N5S MolecularWeight: 359.44748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17N5S/c21-13-16-6-5-9-17(12-16)24-20(26)25(14-18-7-1-3-10-22-18)15-19-8-2-4-11-23-19/h1-12H,14-15H2,(H,24,26)