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

Systemtic Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] N-butyl-N-oxidanyl-carbamodithioate Openeye Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)oxazol-2-yl] N-butyl-N-hydroxy-carbamodithioate CAS Name: N-butyl-N-hydroxycarbamodithioic acid [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-oxazolyl] ester IUPAC Name: [4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] N-butyl-N-hydroxycarbamodithioate Traditional Name: N-butyl-N-hydroxy-carbamodithioic acid [4-(4-chlorophenyl)-5-(4-mesylphenyl)oxazol-2-yl] ester Formula: C21H21ClN2O4S3 MolecularWeight: 497.05044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCN(C(=S)SC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl)O

InChI

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