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

Systemtic Name: 6-tert-butyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[2-(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-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H25N5O4S MolecularWeight: 419.4979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S/c1-10-7-14(24(27)28)22-23(10)9-15(25)21-18-16(17(20)26)12-6-5-11(19(2,3)4)8-13(12)29-18/h7,11H,5-6,8-9H2,1-4H3,(H2,20,26)(H,21,25)