3-[2-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[2-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[2-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]-2-cyano-thioacrylamide Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN3O4S/c1-25-16-7-12(6-13(9-20)18(21)27)15(19)8-17(16)26-10-11-2-4-14(5-3-11)22(23)24/h2-8H,10H2,1H3,(H2,21,27)