2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]prop-2-enethioamide Openeye Name: 2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]prop-2-enethioamide CAS Name: 2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]prop-2-enethioamide Traditional Name: 2-cyano-3-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]thioacrylamide Formula: C17H12N4O6S MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c1-26-16-7-10(6-11(9-18)17(19)28)2-4-15(16)27-14-5-3-12(20(22)23)8-13(14)21(24)25/h2-8H,1H3,(H2,19,28)