N-[4-[4-methyl-5-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-methyl-5-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylthio]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[5-[(2-keto-1H-quinolin-4-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C20H19N5O3S2/c1-25-19(13-7-9-15(10-8-13)24-30(2,27)28)22-23-20(25)29-12-14-11-18(26)21-17-6-4-3-5-16(14)17/h3-11,24H,12H2,1-2H3,(H,21,26)