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

Systemtic Name: 1-(phenylmethyl)-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Openeye Name: 1-benzyl-3-[2-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea CAS Name: 1-(phenylmethyl)-3-[2-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]urea IUPAC Name: 1-benzyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Traditional Name: 1-benzyl-3-[2-[3-(3-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:

C1=CC=C(C=C1)CNC(=O)NCCC2=NC(=NN2)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCC2=NC(=NN2)C3=CN=CC=C3

InChI

InChI=1S/C17H18N6O/c24-17(20-11-13-5-2-1-3-6-13)19-10-8-15-21-16(23-22-15)14-7-4-9-18-12-14/h1-7,9,12H,8,10-11H2,(H2,19,20,24)(H,21,22,23)