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

Systemtic Name: 1-tert-butyl-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-tert-butyl-urea CAS Name: 1-tert-butyl-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-tert-butylurea Traditional Name: 1-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-tert-butyl-urea Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-16-10-12-18(13-11-16)27-19(14-23-20(28)24-22(2,3)4)25-26-21(27)29-15-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H2,23,24,28)