2-[[(2R)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2R)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H18BrN5O4S MolecularWeight: 456.31422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN5O4S/c1-7-12(17)14(22(25)26)20-21(7)8(2)15(24)19-16-11(13(18)23)9-5-3-4-6-10(9)27-16/h8H,3-6H2,1-2H3,(H2,18,23)(H,19,24)/t8-/m1/s1