3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1H-imidazol-5-yl]chromen-2-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-imidazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-imidazol-5-yl]chromen-2-one Traditional Name: 3-(1-homoveratryl-2-thioxo-4-imidazolin-4-yl)coumarin Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(NC2=S)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(NC2=S)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C22H20N2O4S/c1-26-19-8-7-14(11-20(19)27-2)9-10-24-13-17(23-22(24)29)16-12-15-5-3-4-6-18(15)28-21(16)25/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)