2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazole CAS Name: 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole Traditional Name: 2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-(4-pyrrolidinosulfonylphenyl)thiazole Formula: C28H28N4O4S3 MolecularWeight: 580.74132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C6=CC=CS6)OC

InChI

InChI=1S/C28H28N4O4S3/c1-35-25-12-9-20(16-26(25)36-2)24-17-22(27-6-5-15-37-27)30-32(24)28-29-23(18-38-28)19-7-10-21(11-8-19)39(33,34)31-13-3-4-14-31/h5-12,15-16,18,24H,3-4,13-14,17H2,1-2H3