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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCC2=NC(=NN2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCC2=NC(=NN2)C3=CN=CC=C3

InChI

InChI=1S/C17H18N6O/c1-12-5-2-3-7-14(12)20-17(24)19-10-8-15-21-16(23-22-15)13-6-4-9-18-11-13/h2-7,9,11H,8,10H2,1H3,(H2,19,20,24)(H,21,22,23)