1-(1-adamantyl)-3-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]urea Traditional Name: 1-(1-adamantyl)-3-[1-[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]urea Formula: C36H41N5OS MolecularWeight: 591.80864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C36H41N5OS/c1-24-11-13-31(14-12-24)41-33(39-40-35(41)43-23-27-10-6-7-25(2)15-27)32(19-26-8-4-3-5-9-26)37-34(42)38-36-20-28-16-29(21-36)18-30(17-28)22-36/h3-15,28-30,32H,16-23H2,1-2H3,(H2,37,38,42)