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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C19H16N4O3S/c24-15(13-1-4-16-17(9-13)26-11-25-16)10-27-19-22-21-18(23(19)14-2-3-14)12-5-7-20-8-6-12/h1,4-9,14H,2-3,10-11H2