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

Systemtic Name: 2-[(4-methylphenoxy)methyl]-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-[(4-methylphenoxy)methyl]-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiazole CAS Name: 2-[(4-methylphenoxy)methyl]-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]thiazole IUPAC Name: 2-[(4-methylphenoxy)methyl]-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-[(4-methylphenoxy)methyl]-4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiazole Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-16-4-6-18(7-5-16)27-13-21-23-17(15-29-21)14-28-20-9-8-19(12-22-20)30(25,26)24-10-2-3-11-24/h4-9,12,15H,2-3,10-11,13-14H2,1H3