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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C14H13N3O3S/c18-10(9-3-4-11-12(5-9)20-7-19-11)6-21-14-15-13(16-17-14)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16,17)