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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)C#N

InChI

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