1-(4-methylphenyl)-3-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Openeye Name: 1-(p-tolyl)-3-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea CAS Name: 1-(4-methylphenyl)-3-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Traditional Name: 1-(p-tolyl)-3-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea Formula: C17H18N6O MolecularWeight: 322.36442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(C)C2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(C)C2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C17H18N6O/c1-11-3-5-14(6-4-11)20-17(24)19-12(2)15-21-16(23-22-15)13-7-9-18-10-8-13/h3-10,12H,1-2H3,(H2,19,20,24)(H,21,22,23)