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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c1-11-9-15(22(24)25)20-21(11)8-4-7-16(23)19-17-13(10-18)12-5-2-3-6-14(12)26-17/h9H,2-8H2,1H3,(H,19,23)