4-[3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O3S/c1-24-19(15-5-9-17(26-2)10-6-15)22-23-20(24)28-13-16(25)12-27-18-7-3-14(11-21)4-8-18/h3-10,16,25H,12-13H2,1-2H3