3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-methyl-N-oxidanyl-propanamide; pyrrolidine-1-carbodithioic acid

Systemtic Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-methyl-N-oxidanyl-propanamide; pyrrolidine-1-carbodithioic acid Openeye Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methyl-propanamide; pyrrolidine-1-carbodithioic acid CAS Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-N-hydroxy-N-methylpropanamide; 1-pyrrolidinecarbodithioic acid IUPAC Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide; pyrrolidine-1-carbodithioic acid Traditional Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methyl-propionamide; pyrrolidine-1-carbodithioic acid Formula: C25H29ClN4O3S2 MolecularWeight: 533.10576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O.C1CCN(C1)C(=S)S

Isomeric SMILES

CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O.C1CCN(C1)C(=S)S

InChI

InChI=1S/C20H20ClN3O3.C5H9NS2/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17;7-5(8)6-3-1-2-4-6/h3-6,8-11,13,26H,7,12H2,1-2H3;1-4H2,(H,7,8)