N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-sulfonamide

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-sulfonamide Openeye Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-sulfonamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthalenesulfonamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-sulfonamide Traditional Name: N-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-sulfonamide Formula: C27H23FN4O2S2 MolecularWeight: 518.625523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23FN4O2S2/c1-19-9-15-23(16-10-19)32-26(30-31-27(32)35-18-20-11-13-22(28)14-12-20)17-29-36(33,34)25-8-4-6-21-5-2-3-7-24(21)25/h2-16,29H,17-18H2,1H3