2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(phenylmethyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(phenylmethyl)pyrazol-3-yl]ethanamide Openeye Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(phenylmethyl)-3-pyrazolyl]acetamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=CC=NN3CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=CC=NN3CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S/c24-20(14-27-16-6-7-17-18(12-16)26-11-10-25-17)22-19-8-9-21-23(19)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2,(H,22,24)