1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-2-10-24-20(15-6-4-3-5-7-15)22-23-21(24)28-14-17(25)16-8-9-18-19(13-16)27-12-11-26-18/h2-9,13H,1,10-12,14H2