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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-10-8-14(21(23)24)19-20(10)7-6-15(22)18-16-12(9-17)11-4-2-3-5-13(11)25-16/h8H,2-7H2,1H3,(H,18,22)