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

Systemtic Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(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(N2C3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)OC

InChI

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