N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3-nitropyrazol-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3S/c1-19(2,3)12-4-5-13-14(11-20)18(28-15(13)10-12)21-17(25)7-9-23-8-6-16(22-23)24(26)27/h6,8,12H,4-5,7,9-10H2,1-3H3,(H,21,25)/t12-/m1/s1