4-[2,5-dimethyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(1,3,4-thiadiazol-2-ylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C16H16N4O3S3 MolecularWeight: 408.51824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NN=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NN=CS3

InChI

InChI=1S/C16H16N4O3S3/c1-10-7-14(15(21)8-24-16-19-18-9-25-16)11(2)20(10)12-3-5-13(6-4-12)26(17,22)23/h3-7,9H,8H2,1-2H3,(H2,17,22,23)