S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]methyl] carbamothioate

Systemtic Name: S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridin-2-yl]methyl] carbamothioate Openeye Name: S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]methyl] ester IUPAC Name: S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridyl]methyl] ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)CSC(=O)N)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)CSC(=O)N)C3=CC=CS3)OC

InChI

InChI=1S/C20H17N3O3S2/c1-25-17-6-5-12(8-18(17)26-2)13-9-15(19-4-3-7-27-19)23-16(14(13)10-21)11-28-20(22)24/h3-9H,11H2,1-2H3,(H2,22,24)