3-cyclohexyl-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4CCCCC4

InChI

InChI=1S/C23H27N3OS/c1-17-7-6-8-18(15-17)16-28-23-25-24-22(19-9-4-3-5-10-19)26(23)20-11-13-21(27-2)14-12-20/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3