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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3S/c1-13-20(27(29)30)14(2)26(25-13)10-6-7-19(28)24-21-17(12-23)16-9-8-15(22(3,4)5)11-18(16)31-21/h15H,6-11H2,1-5H3,(H,24,28)