methyl 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-sulfanylidene-imidazol-1-yl]propanoate

Systemtic Name: methyl 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-sulfanylidene-imidazol-1-yl]propanoate Openeye Name: methyl 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-thioxo-imidazol-1-yl]propanoate CAS Name: 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-sulfanylidene-1-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-sulfanylideneimidazol-1-yl]propanoate Traditional Name: 3-[4-[4-(4-cyanophenyl)phenyl]-3-methyl-2-thioxo-4-imidazolin-1-yl]propionic acid methyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=S)CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=CN(C1=S)CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c1-23-19(14-24(21(23)27)12-11-20(25)26-2)18-9-7-17(8-10-18)16-5-3-15(13-22)4-6-16/h3-10,14H,11-12H2,1-2H3