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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H17N5O3S/c1-10(8-20-9-11(7-18-20)21(23)24)15(22)19-16-13(6-17)12-4-2-3-5-14(12)25-16/h7,9-10H,2-5,8H2,1H3,(H,19,22)