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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

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