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

Systemtic Name: 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S/c1-10-9-13(22(25)26)20-21(10)8-4-7-14(23)19-17-15(16(18)24)11-5-2-3-6-12(11)27-17/h9H,2-8H2,1H3,(H2,18,24)(H,19,23)