N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-N-thiochroman-4-yl-butanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: 4-keto-4-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-N-thiochroman-4-yl-butyramide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NC3CCSC4=CC=CC=C34)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NC3CCSC4=CC=CC=C34)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-35-22-13-11-21(12-14-22)26-19-25(20-7-3-2-4-8-20)31-32(26)29(34)16-15-28(33)30-24-17-18-36-27-10-6-5-9-23(24)27/h2-14,24,26H,15-19H2,1H3,(H,30,33)