N-(4-methylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

Systemtic Name: N-(4-methylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine Openeye Name: N-(p-tolyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]thiazol-2-amine CAS Name: N-(4-methylphenyl)-4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-2-thiazolamine IUPAC Name: N-(4-methylphenyl)-4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine Traditional Name: p-tolyl-[4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]thiazol-2-yl]amine Formula: C20H22N4O2S3 MolecularWeight: 446.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O2S3/c1-15-4-6-16(7-5-15)22-20-23-17(14-28-20)13-27-19-9-8-18(12-21-19)29(25,26)24-10-2-3-11-24/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,22,23)