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

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O3S/c1-12-18(24(26)27)13(2)23(22-12)11-14-3-5-15(6-4-14)19(25)21-10-9-16-7-8-17(20)28-16/h3-8H,9-11H2,1-2H3,(H,21,25)