1-pyridin-3-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-pyridin-3-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(3-pyridyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(3-pyridinyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea IUPAC Name: 1-pyridin-3-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(3-pyridyl)-3-[4-(1,2,4-triazol-1-ylmethyl)benzyl]urea Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H16N6O/c23-16(21-15-2-1-7-17-9-15)19-8-13-3-5-14(6-4-13)10-22-12-18-11-20-22/h1-7,9,11-12H,8,10H2,(H2,19,21,23)