4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C17H18BrN5O3S MolecularWeight: 452.32552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN5O3S/c1-10-15(18)16(23(25)26)21-22(10)8-4-7-14(24)20-17-12(9-19)11-5-2-3-6-13(11)27-17/h2-8H2,1H3,(H,20,24)