3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)isoxazol-5-yl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-5-isoxazolyl]propyl ester IUPAC Name: 3-[3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,2-oxazol-5-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(4-chlorophenyl)-4-(4-mesylphenyl)isoxazol-5-yl]propyl ester Formula: C21H21ClN2O4S3 MolecularWeight: 497.05044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C21H21ClN2O4S3/c1-24(25)21(29)30-13-3-4-18-19(14-7-11-17(12-8-14)31(2,26)27)20(23-28-18)15-5-9-16(22)10-6-15/h5-12,25H,3-4,13H2,1-2H3