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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

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