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

Systemtic Name: 1-(2-bromophenyl)-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(2-bromophenyl)-3-[[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(2-bromophenyl)-3-[[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(2-bromophenyl)-3-[[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]urea Formula: C17H17BrN6OS MolecularWeight: 433.32548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)CNC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)CNC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C17H17BrN6OS/c1-24-15(10-20-16(25)21-14-7-3-2-6-13(14)18)22-23-17(24)26-11-12-5-4-8-19-9-12/h2-9H,10-11H2,1H3,(H2,20,21,25)