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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C15H14N6O5S MolecularWeight: 390.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O5S/c1-8-13(20(23)24)14(21(25)26)18-19(8)7-12(22)17-15-10(6-16)9-4-2-3-5-11(9)27-15/h2-5,7H2,1H3,(H,17,22)