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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dinitrophenoxy)benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dinitrophenoxy)benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dinitrophenoxy)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dinitrophenoxy)benzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dinitrophenoxy)benzamide Formula: C22H16N4O6S MolecularWeight: 464.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N4O6S/c23-12-19-18-3-1-2-4-20(18)33-22(19)24-21(27)13-5-7-16(8-6-13)32-17-10-14(25(28)29)9-15(11-17)26(30)31/h5-11H,1-4H2,(H,24,27)