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

Systemtic Name: 1-[(1S)-3-methyl-1-pyridin-3-yl-butyl]-3-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]urea Openeye Name: 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-[(1S)-3-methyl-1-(3-pyridyl)butyl]urea CAS Name: 1-[(1S)-3-methyl-1-(3-pyridinyl)butyl]-3-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]urea IUPAC Name: 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-[(1S)-3-methyl-1-pyridin-3-ylbutyl]urea Traditional Name: 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-[(1S)-3-methyl-1-(3-pyridyl)butyl]urea Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=CC=C1)NC(=O)NC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C1=CN=CC=C1)NC(=O)NC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N6O/c1-14(2)11-17(16-9-6-10-21-13-16)22-20(27)24-19-23-18(25-26-19)12-15-7-4-3-5-8-15/h3-10,13-14,17H,11-12H2,1-2H3,(H3,22,23,24,25,26,27)/t17-/m0/s1