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

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-(3-pyridylmethyl)acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-8-11(17(19)20)12(16-15-8)21-7-10(18)14-6-9-3-2-4-13-5-9/h2-5H,6-7H2,1H3,(H,14,18)(H,15,16)