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

Systemtic Name: 1-cyclohexyl-3-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclohexylurea Traditional Name: 1-[1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3-cyclohexyl-urea Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5OS/c1-18-13-15-22(16-14-18)30-23(19(2)26-24(31)27-21-11-7-4-8-12-21)28-29-25(30)32-17-20-9-5-3-6-10-20/h3,5-6,9-10,13-16,19,21H,4,7-8,11-12,17H2,1-2H3,(H2,26,27,31)