N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O3S/c1-11-5-6-13-14(10-19)18(27-15(13)8-11)20-17(24)4-3-7-22-12(2)9-16(21-22)23(25)26/h9,11H,3-8H2,1-2H3,(H,20,24)/t11-/m1/s1