N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-7-12(17(19)20)13(16-15-7)23-5-11(18)14-8-2-3-9-10(4-8)22-6-21-9/h2-4H,5-6H2,1H3,(H,14,18)(H,15,16)