4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-methyl-1-(2-thienyl)propyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-methyl-1-(2-thienyl)propyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C3=CC=CS3)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H](C3=CC=CS3)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-13(2)19(18-6-5-11-29-18)22-21(26)17-9-7-16(8-10-17)12-24-15(4)20(25(27)28)14(3)23-24/h5-11,13,19H,12H2,1-4H3,(H,22,26)/t19-/m0/s1