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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C19H16N4O3S MolecularWeight: 380.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C19H16N4O3S/c1-2-9-23-18(13-5-7-20-8-6-13)21-22-19(23)27-11-15(24)14-3-4-16-17(10-14)26-12-25-16/h2-8,10H,1,9,11-12H2