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

Systemtic Name: N-(4-cyanophenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8-12(18(20)21)13(17-16-8)22-7-11(19)15-10-4-2-9(6-14)3-5-10/h2-5H,7H2,1H3,(H,15,19)(H,16,17)