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

Systemtic Name: 4-methyl-N-[[4-methyl-5-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: 4-methyl-N-[[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[[4-methyl-5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[5-[(2-keto-1H-quinolin-4-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzenesulfonamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O3S2/c1-14-7-9-16(10-8-14)31(28,29)22-12-19-24-25-21(26(19)2)30-13-15-11-20(27)23-18-6-4-3-5-17(15)18/h3-11,22H,12-13H2,1-2H3,(H,23,27)