N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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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)OCCCO4

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20ClN3O3S/c1-25-20(12-17(24-25)14-3-5-15(22)6-4-14)23-21(26)13-29-16-7-8-18-19(11-16)28-10-2-9-27-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,26)