4-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-thiazole CAS Name: 4-[[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-thiazole Formula: C22H18N4O2S2 MolecularWeight: 434.53392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O2S2/c1-2-10-26-20(16-8-9-18-19(11-16)28-14-27-18)24-25-22(26)30-13-17-12-29-21(23-17)15-6-4-3-5-7-15/h2-9,11-12H,1,10,13-14H2