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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H17N5O3S/c17-8-13-12-4-1-2-5-14(12)25-16(13)19-15(22)6-3-7-20-10-11(9-18-20)21(23)24/h9-10H,1-7H2,(H,19,22)