N-(2-prop-2-enylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23N3O3S3/c1-2-13-27-18-8-4-3-7-17(18)22-19(24)15-28-20-10-9-16(14-21-20)29(25,26)23-11-5-6-12-23/h2-4,7-10,14H,1,5-6,11-13,15H2,(H,22,24)