N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carbothioamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)pyrrolidine-1-carbothioamide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCCC2)OC

InChI

InChI=1S/C14H17N3O2S/c1-18-12-7-10(9-15)11(8-13(12)19-2)16-14(20)17-5-3-4-6-17/h7-8H,3-6H2,1-2H3,(H,16,20)