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

Systemtic Name: 2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)prop-2-enethioamide Openeye Name: 3-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-cyano-prop-2-enethioamide CAS Name: 2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)prop-2-enethioamide Traditional Name: 3-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-cyano-thioacrylamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C18H15N3O4S/c1-24-16-8-13(7-14(10-19)18(20)26)15(21(22)23)9-17(16)25-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3,(H2,20,26)