4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-p-phenetyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-27-20-13-11-19(12-14-20)26-22(18-9-7-17(2)8-10-18)24-25-23(26)29-16-21-6-4-5-15-28-21/h7-14,21H,3-6,15-16H2,1-2H3