N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxidanylidene-thiochromen-6-yl]ethanamide

Systemtic Name: N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxidanylidene-thiochromen-6-yl]ethanamide Openeye Name: N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxo-thiochromen-6-yl]acetamide CAS Name: N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxo-1-benzothiopyran-6-yl]acetamide IUPAC Name: N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxothiochromen-6-yl]acetamide Traditional Name: N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-keto-2-(4-methoxyphenyl)thiochromen-6-yl]acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)C3=C(S2)C=CC(=C3)CC(=O)NC4=NNC(=C4)C5CCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(S2)C=CC(=C3)CC(=O)NC4=NNC(=C4)C5CCC5

InChI

InChI=1S/C25H23N3O3S/c1-31-18-8-6-17(7-9-18)23-14-21(29)19-11-15(5-10-22(19)32-23)12-25(30)26-24-13-20(27-28-24)16-3-2-4-16/h5-11,13-14,16H,2-4,12H2,1H3,(H2,26,27,28,30)