1-cyclohexyl-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea

Systemtic Name: 1-cyclohexyl-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-cyclohexyl-3-[[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-cyclohexyl-3-[[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-cyclohexyl-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-cyclohexyl-3-[[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]urea Formula: C17H24N6OS MolecularWeight: 360.47706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)CNC(=O)NC3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)CNC(=O)NC3CCCCC3

InChI

InChI=1S/C17H24N6OS/c1-23-15(11-19-16(24)20-14-7-3-2-4-8-14)21-22-17(23)25-12-13-6-5-9-18-10-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H2,19,20,24)