4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18N4O2S/c1-2-24-19(16-7-8-17-18(11-16)26-10-9-25-17)22-23-20(24)27-13-15-5-3-14(12-21)4-6-15/h3-8,11H,2,9-10,13H2,1H3