1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dichlorobenzyl)-1-(3-pyridylmethyl)thiourea Formula: C17H16Cl2N4S MolecularWeight: 379.30674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N4S/c18-15-5-4-13(9-16(15)19)11-22-17(24)23(8-2-6-20)12-14-3-1-7-21-10-14/h1,3-5,7,9-10H,2,8,11-12H2,(H,22,24)