N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-12-5-6-17(13(2)7-12)15(4)21-20(25)18-9-16(11-28-18)10-23-14(3)8-19(22-23)24(26)27/h5-9,11,15H,10H2,1-4H3,(H,21,25)