N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H19N5O3S MolecularWeight: 373.42946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c1-17(2,3)9-4-5-10-11(7-18)16(26-13(10)6-9)20-15(23)14-12(22(24)25)8-19-21-14/h8-9H,4-6H2,1-3H3,(H,19,21)(H,20,23)/t9-/m0/s1