2-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-benzamide Openeye Name: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-benzamide CAS Name: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide IUPAC Name: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide Traditional Name: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-benzamide Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O3S/c17-13-6-5-9(20(22)23)7-11(13)15(21)19-16-12(8-18)10-3-1-2-4-14(10)24-16/h5-7H,1-4H2,(H,19,21)