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

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H16N4O2S/c1-23-18(15-6-7-16-17(10-15)25-9-8-24-16)21-22-19(23)26-12-14-4-2-13(11-20)3-5-14/h2-7,10H,8-9,12H2,1H3