1-(2-bromanyl-5-methyl-phenyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(2-bromanyl-5-methyl-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(2-bromo-5-methyl-phenyl)-3-(3-pyridyl)thiourea CAS Name: 1-(2-bromo-5-methylphenyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-(2-bromo-5-methylphenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(2-bromo-5-methyl-phenyl)-3-(3-pyridyl)thiourea Formula: C13H12BrN3S MolecularWeight: 322.22348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C13H12BrN3S/c1-9-4-5-11(14)12(7-9)17-13(18)16-10-3-2-6-15-8-10/h2-8H,1H3,(H2,16,17,18)