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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea CAS Name: 1-(3-acetylphenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NCCC2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCCC2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2/c1-12(25)14-3-2-4-15(11-14)21-18(26)20-10-7-16-22-17(24-23-16)13-5-8-19-9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H2,20,21,26)(H,22,23,24)