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

Systemtic Name: 2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H20BrN5O4S MolecularWeight: 470.3408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN5O4S/c1-9-14(18)16(23(26)27)21-22(9)8-4-7-12(24)20-17-13(15(19)25)10-5-2-3-6-11(10)28-17/h2-8H2,1H3,(H2,19,25)(H,20,24)