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

Systemtic Name: methyl 3-[4-[3-(4-cyanophenyl)-2-sulfanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-cyanophenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-cyanophenyl)-2-sulfanylidene-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-cyanophenyl)-2-sulfanylideneimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-cyanophenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=S)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=S)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3O2S/c1-25-19(24)11-6-15-2-7-17(8-3-15)22-12-13-23(20(22)26)18-9-4-16(14-21)5-10-18/h2-5,7-10H,6,11-13H2,1H3