N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-14-17(10-22)18(25(24-14)16-5-3-2-4-6-16)11-29-12-21(26)23-15-7-8-19-20(9-15)28-13-27-19/h2-9H,11-13H2,1H3,(H,23,26)