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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-2-13(20-9-10(8-18-20)21(23)24)15(22)19-16-12(7-17)11-5-3-4-6-14(11)25-16/h8-9,13H,2-6H2,1H3,(H,19,22)