2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]prop-2-enethioamide Openeye Name: 2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxy-phenyl]prop-2-enethioamide CAS Name: 2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enethioamide Traditional Name: 2-cyano-3-[4-(2-cyanobenzyl)oxy-3-iodo-5-methoxy-phenyl]thioacrylamide Formula: C19H14IN3O2S MolecularWeight: 475.30283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H14IN3O2S/c1-24-17-8-12(6-15(10-22)19(23)26)7-16(20)18(17)25-11-14-5-3-2-4-13(14)9-21/h2-8H,11H2,1H3,(H2,23,26)