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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-thienylmethyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-thenyl)benzamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-12-17(22(24)25)13(2)21(20-12)11-14-5-7-15(8-6-14)18(23)19-10-16-4-3-9-26-16/h3-9H,10-11H2,1-2H3,(H,19,23)