3-[5-(4-methylsulfonylphenyl)-6-phenyl-pyridin-3-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[5-(4-methylsulfonylphenyl)-6-phenyl-pyridin-3-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(4-methylsulfonylphenyl)-6-phenyl-3-pyridyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(4-methylsulfonylphenyl)-6-phenyl-3-pyridinyl]propyl ester IUPAC Name: 3-[5-(4-methylsulfonylphenyl)-6-phenylpyridin-3-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[5-(4-mesylphenyl)-6-phenyl-3-pyridyl]propyl ester Formula: C23H24N2O3S3 MolecularWeight: 472.64326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)O

Isomeric SMILES

CN(C(=S)SCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)O

InChI

InChI=1S/C23H24N2O3S3/c1-25(26)23(29)30-14-6-7-17-15-21(18-10-12-20(13-11-18)31(2,27)28)22(24-16-17)19-8-4-3-5-9-19/h3-5,8-13,15-16,26H,6-7,14H2,1-2H3