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

Systemtic Name: 3-[5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)pyridin-3-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-3-pyridyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]propyl ester IUPAC Name: 3-[5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)pyridin-3-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[5-(4-chlorophenyl)-6-(4-mesylphenyl)-3-pyridyl]propyl ester Formula: C23H23ClN2O3S3 MolecularWeight: 507.08832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3S3/c1-26(27)23(30)31-13-3-4-16-14-21(17-5-9-19(24)10-6-17)22(25-15-16)18-7-11-20(12-8-18)32(2,28)29/h5-12,14-15,27H,3-4,13H2,1-2H3