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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C14H13N3O3S/c18-11(9-1-4-12-13(5-9)20-8-19-12)6-21-14-16-15-7-17(14)10-2-3-10/h1,4-5,7,10H,2-3,6,8H2