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

Systemtic Name: 1-cyclohexyl-3-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-cyclohexylurea Traditional Name: 1-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-cyclohexyl-urea Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)NC4CCCCC4

InChI

InChI=1S/C24H29N5OS/c1-18-12-14-21(15-13-18)29-22(16-25-23(30)26-20-10-6-3-7-11-20)27-28-24(29)31-17-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H2,25,26,30)