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

Systemtic Name: 6-tert-butyl-2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H24ClN5O4S MolecularWeight: 453.94296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H24ClN5O4S/c1-9-15(20)17(25(28)29)23-24(9)8-13(26)22-18-14(16(21)27)11-6-5-10(19(2,3)4)7-12(11)30-18/h10H,5-8H2,1-4H3,(H2,21,27)(H,22,26)