N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18ClN3O3S/c1-24-19(11-16(23-24)13-2-4-14(21)5-3-13)22-20(25)12-28-15-6-7-17-18(10-15)27-9-8-26-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,25)