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

Systemtic Name: 1,1-dimethyl-3-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 3-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-1,1-dimethyl-urea CAS Name: 1,1-dimethyl-3-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 3-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1,1-dimethylurea Traditional Name: 3-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-1,1-dimethyl-urea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-15-9-11-17(12-10-15)25-18(13-21-19(26)24(2)3)22-23-20(25)27-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,26)