2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O3S/c1-12-6-8-15(9-7-12)18(16-5-4-10-27-16)20-17(24)11-22-14(3)19(23(25)26)13(2)21-22/h4-10,18H,11H2,1-3H3,(H,20,24)