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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide Openeye Name: N-allyl-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-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide Traditional Name: N-allyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-thenyl)benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(CC=C)CC3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(CC=C)CC3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-4-11-23(14-19-6-5-12-29-19)21(26)18-9-7-17(8-10-18)13-24-16(3)20(25(27)28)15(2)22-24/h4-10,12H,1,11,13-14H2,2-3H3