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

Systemtic Name: 4-(4-ethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(tetrahydropyran-2-ylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(2-oxanylmethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-p-phenetyl-3-(tetrahydropyran-2-ylmethylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S2/c1-2-24-16-10-8-15(9-11-16)23-19(18-7-5-13-26-18)21-22-20(23)27-14-17-6-3-4-12-25-17/h5,7-11,13,17H,2-4,6,12,14H2,1H3