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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c1-9-13(20(23)24)6-10(7-14(9)21(25)26)16(22)19-17-12(8-18)11-4-2-3-5-15(11)27-17/h6-7H,2-5H2,1H3,(H,19,22)