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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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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=NC=NN3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H17N5O3S2/c1-10-7-14(15(22)8-25-16-18-9-19-20-16)11(2)21(10)12-3-5-13(6-4-12)26(17,23)24/h3-7,9H,8H2,1-2H3,(H2,17,23,24)(H,18,19,20)