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

Systemtic Name: 4-(4-ethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-phenyl-4-p-phenetyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-2-26-19-13-11-18(12-14-19)25-21(17-8-4-3-5-9-17)23-24-22(25)28-16-20-10-6-7-15-27-20/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3