1-[2,5-bis(chloranyl)phenyl]-3-(2-pyridin-4-ylethyl)thiourea

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(2-pyridin-4-ylethyl)thiourea Openeye Name: 1-(2,5-dichlorophenyl)-3-[2-(4-pyridyl)ethyl]thiourea CAS Name: 1-(2,5-dichlorophenyl)-3-(2-pyridin-4-ylethyl)thiourea IUPAC Name: 1-(2,5-dichlorophenyl)-3-(2-pyridin-4-ylethyl)thiourea Traditional Name: 1-(2,5-dichlorophenyl)-3-[2-(4-pyridyl)ethyl]thiourea Formula: C14H13Cl2N3S MolecularWeight: 326.24412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=S)NCCC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=S)NCCC2=CC=NC=C2)Cl

InChI

InChI=1S/C14H13Cl2N3S/c15-11-1-2-12(16)13(9-11)19-14(20)18-8-5-10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H2,18,19,20)