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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C21H17N5O2S2/c1-2-9-26-19(14-5-7-22-8-6-14)24-25-21(26)30-12-16-11-29-20(23-16)15-3-4-17-18(10-15)28-13-27-17/h2-8,10-11H,1,9,12-13H2