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

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S/c1-11-7-16(24(26)27)22-23(11)10-17(25)21-18-14(9-20)13-6-5-12(19(2,3)4)8-15(13)28-18/h7,12H,5-6,8,10H2,1-4H3,(H,21,25)/t12-/m0/s1