4-[4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-ethoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-ethoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-p-phenetyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-2-26-18-8-6-17(7-9-18)25-20(16-10-12-22-13-11-16)23-24-21(25)28-15-19-5-3-4-14-27-19/h6-13,19H,2-5,14-15H2,1H3