methyl 3-[5-[4-(4-cyanophenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-[4-(4-cyanophenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoate Openeye Name: methyl 3-[5-[4-(4-cyanophenyl)phenyl]-2-thioxo-1H-imidazol-3-yl]propanoate CAS Name: 3-[5-[4-(4-cyanophenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[4-(4-cyanophenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoate Traditional Name: 3-[4-[4-(4-cyanophenyl)phenyl]-2-thioxo-4-imidazolin-1-yl]propionic acid methyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(NC1=S)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCN1C=C(NC1=S)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O2S/c1-25-19(24)10-11-23-13-18(22-20(23)26)17-8-6-16(7-9-17)15-4-2-14(12-21)3-5-15/h2-9,13H,10-11H2,1H3,(H,22,26)