methyl-[4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]phenyl]sulfanylcarbothioyl-bis(oxidanyl)azanium

Systemtic Name: methyl-[4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]phenyl]sulfanylcarbothioyl-bis(oxidanyl)azanium Openeye Name: dihydroxy-methyl-[4-[4-(4-methylsulfonylphenyl)-5-phenyl-oxazol-2-yl]phenyl]sulfanylcarbothioyl-ammonium CAS Name: dihydroxy-methyl-[[[4-[4-(4-methylsulfonylphenyl)-5-phenyl-2-oxazolyl]phenyl]thio]-sulfanylidenemethyl]ammonium IUPAC Name: dihydroxy-methyl-[4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]phenyl]sulfanylcarbothioylazanium Traditional Name: dihydroxy-[[4-[4-(4-mesylphenyl)-5-phenyl-oxazol-2-yl]phenyl]thio]carbothioyl-methyl-ammonium Formula: C24H21N2O5S3+ MolecularWeight: 513.62894

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(=S)SC1=CC=C(C=C1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)(O)O

Isomeric SMILES

C[N+](C(=S)SC1=CC=C(C=C1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)(O)O

InChI

InChI=1S/C24H21N2O5S3/c1-26(27,28)24(32)33-19-12-8-18(9-13-19)23-25-21(22(31-23)17-6-4-3-5-7-17)16-10-14-20(15-11-16)34(2,29)30/h3-15,27-28H,1-2H3/q+1