N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H14N4O3S2/c17-7-12-11-3-1-2-4-13(11)25-16(12)19-14(21)9-24-15-6-5-10(8-18-15)20(22)23/h5-6,8H,1-4,9H2,(H,19,21)