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

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-9-12(17(19)20)13(16-15-9)21-8-11(18)14-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,18)(H,15,16)