4-[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O4S/c1-4-26-18-11-17(12-19(27-5-2)20(18)28-6-3)21-24-25-22(29-21)30-14-16-9-7-15(13-23)8-10-16/h7-12H,4-6,14H2,1-3H3