2-cyano-3-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enethioamide

Systemtic Name: 2-cyano-3-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enethioamide Openeye Name: 3-(4-benzyloxy-3-iodo-5-methoxy-phenyl)-2-cyano-prop-2-enethioamide CAS Name: 2-cyano-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enethioamide Traditional Name: 3-(4-benzoxy-3-iodo-5-methoxy-phenyl)-2-cyano-thioacrylamide Formula: C18H15IN2O2S MolecularWeight: 450.29337

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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=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC2=CC=CC=C2

InChI

InChI=1S/C18H15IN2O2S/c1-22-16-9-13(7-14(10-20)18(21)24)8-15(19)17(16)23-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3,(H2,21,24)