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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3COC4=CC=CC=C4O3

InChI

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