N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]quinoline-8-sulfonamide Formula: C26H23N5O2S2 MolecularWeight: 501.62312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H23N5O2S2/c1-19-12-14-22(15-13-19)31-24(29-30-26(31)34-18-20-7-3-2-4-8-20)17-28-35(32,33)23-11-5-9-21-10-6-16-27-25(21)23/h2-16,28H,17-18H2,1H3