3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC#N)C2COC3=CC=CC=C3O2

Isomeric SMILES

C=CCN1C(=NN=C1SCCC#N)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H16N4O2S/c1-2-9-20-15(18-19-16(20)23-10-5-8-17)14-11-21-12-6-3-4-7-13(12)22-14/h2-4,6-7,14H,1,5,9-11H2