S-[[4-(4-cyanophenyl)-3-methoxy-6-thiophen-2-yl-pyridin-2-yl]methyl] N,N-diethylcarbamothioate

Systemtic Name: S-[[4-(4-cyanophenyl)-3-methoxy-6-thiophen-2-yl-pyridin-2-yl]methyl] N,N-diethylcarbamothioate Openeye Name: S-[[4-(4-cyanophenyl)-3-methoxy-6-(2-thienyl)-2-pyridyl]methyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[4-(4-cyanophenyl)-3-methoxy-6-thiophen-2-yl-2-pyridinyl]methyl] ester IUPAC Name: S-[[4-(4-cyanophenyl)-3-methoxy-6-thiophen-2-ylpyridin-2-yl]methyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[[4-(4-cyanophenyl)-3-methoxy-6-(2-thienyl)-2-pyridyl]methyl] ester Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCN(CC)C(=O)SCC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H23N3O2S2/c1-4-26(5-2)23(27)30-15-20-22(28-3)18(17-10-8-16(14-24)9-11-17)13-19(25-20)21-7-6-12-29-21/h6-13H,4-5,15H2,1-3H3