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

Systemtic Name: 3-[3-chloranyl-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-chloro-4-(2-cyanobenzyl)oxy-5-methoxy-phenyl]-2-cyano-thioacrylamide Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O2S/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)