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

Systemtic Name: 2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enethioamide Openeye Name: 3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enethioamide CAS Name: 2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enethioamide Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-thioacrylamide Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S/c1-21-17-10-14(9-15(11-19)18(20)23)7-8-16(17)22-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H2,20,23)