1-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-3-phenyl-pentan-2-one

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-3-phenyl-pentan-2-one Openeye Name: 1-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-3-phenyl-pentan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-4-methyl-3-phenyl-2-pentanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-3-phenylpentan-2-one Traditional Name: 1-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]-4-methyl-3-phenyl-pentan-2-one Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C3=CC=CC=C3)C(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C3=CC=CC=C3)C(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H33N3O2S/c1-20(2)25-13-9-10-14-26(25)33-29(23-15-17-24(35-5)18-16-23)31-32-30(33)36-19-27(34)28(21(3)4)22-11-7-6-8-12-22/h6-18,20-21,28H,19H2,1-5H3