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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O3S/c22-14(13-6-7-15-16(10-13)24-9-8-23-15)11-25-18-19-17(20-21-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20,21)