N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3S/c1-12-9-17(25(27)28)23-24(12)8-7-18(26)22-19-15(11-21)14-6-5-13(20(2,3)4)10-16(14)29-19/h9,13H,5-8,10H2,1-4H3,(H,22,26)