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

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S/c1-11-16(13(3)23(22-11)9-14-7-5-4-6-8-14)19-15(25)10-28-18-17(24(26)27)12(2)20-21-18/h4-8H,9-10H2,1-3H3,(H,19,25)(H,20,21)