4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H10BrN5O3S MolecularWeight: 396.2192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C13H10BrN5O3S/c14-9-10(17-18-11(9)19(21)22)12(20)16-13-7(5-15)6-3-1-2-4-8(6)23-13/h1-4H2,(H,16,20)(H,17,18)