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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,5-dinitro-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,5-dinitro-benzamide Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O5S/c17-8-13-12-3-1-2-4-14(12)26-16(13)18-15(21)9-5-10(19(22)23)7-11(6-9)20(24)25/h5-7H,1-4H2,(H,18,21)