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

Systemtic Name: 3-[5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[5-bromo-2-(4-nitrobenzyl)oxy-phenyl]-2-cyano-thioacrylamide Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O3S/c18-14-3-6-16(12(8-14)7-13(9-19)17(20)25)24-10-11-1-4-15(5-2-11)21(22)23/h1-8H,10H2,(H2,20,25)