N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]methanesulfonamide Formula: C16H16N4O3S3 MolecularWeight: 408.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NNC(=N2)C3=CC=CS3

InChI

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