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

Systemtic Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] N-butylcarbamodithioate Openeye Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)oxazol-2-yl] N-butylcarbamodithioate CAS Name: N-butylcarbamodithioic acid [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-oxazolyl] ester IUPAC Name: [5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] N-butylcarbamodithioate Traditional Name: N-butylcarbamodithioic acid [5-(4-chlorophenyl)-4-(4-mesylphenyl)oxazol-2-yl] ester Formula: C21H21ClN2O3S3 MolecularWeight: 481.05104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S3/c1-3-4-13-23-21(28)29-20-24-18(14-7-11-17(12-8-14)30(2,25)26)19(27-20)15-5-9-16(22)10-6-15/h5-12H,3-4,13H2,1-2H3,(H,23,28)