N-[(E)-(2-methoxy-5-methylsulfanyl-thiophen-3-yl)methylideneamino]-3,5-dinitro-benzamide

Systemtic Name: N-[(E)-(2-methoxy-5-methylsulfanyl-thiophen-3-yl)methylideneamino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-(2-methoxy-5-methylsulfanyl-3-thienyl)methyleneamino]-3,5-dinitro-benzamide CAS Name: N-[(E)-[2-methoxy-5-(methylthio)-3-thiophenyl]methylideneamino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-(2-methoxy-5-methylsulfanylthiophen-3-yl)methylideneamino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-[2-methoxy-5-(methylthio)-3-thienyl]methyleneamino]-3,5-dinitro-benzamide Formula: C14H12N4O6S2 MolecularWeight: 396.39828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(S1)SC)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(S1)SC)/C=N/NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6S2/c1-24-14-9(5-12(25-2)26-14)7-15-16-13(19)8-3-10(17(20)21)6-11(4-8)18(22)23/h3-7H,1-2H3,(H,16,19)/b15-7+