2-(3,4-dimethoxyphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiazole Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H23N3O4S3/c1-27-18-7-5-15(11-19(18)28-2)21-23-16(14-30-21)13-29-20-8-6-17(12-22-20)31(25,26)24-9-3-4-10-24/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3