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

Systemtic Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O4S/c1-23-19(18-11-26-16-5-3-4-6-17(16)27-18)21-22-20(23)28-12-14-9-13(10-24)7-8-15(14)25-2/h3-10,18H,11-12H2,1-2H3