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

Systemtic Name: 3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodanyl-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodo-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[4-(4-chlorobenzyl)oxy-3-ethoxy-5-iodo-phenyl]-2-cyano-thioacrylamide Formula: C19H16ClIN2O2S MolecularWeight: 498.76501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H16ClIN2O2S/c1-2-24-17-9-13(7-14(10-22)19(23)26)8-16(21)18(17)25-11-12-3-5-15(20)6-4-12/h3-9H,2,11H2,1H3,(H2,23,26)