2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C15H15N3O3S/c19-11(8-22-15-16-14(17-18-15)9-1-2-9)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)