[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]methyl N-oxidanyl-N-propan-2-yl-carbamodithioate

Systemtic Name: [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]methyl N-oxidanyl-N-propan-2-yl-carbamodithioate Openeye Name: [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]methyl N-hydroxy-N-isopropyl-carbamodithioate CAS Name: N-hydroxy-N-propan-2-ylcarbamodithioic acid [5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]methyl N-hydroxy-N-propan-2-ylcarbamodithioate Traditional Name: N-hydroxy-N-isopropyl-carbamodithioic acid [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]methyl ester Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(=S)SCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)N(C(=S)SCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H22ClN3O2S2/c1-14(2)25(26)21(28)29-13-17-12-20(15-4-6-16(22)7-5-15)24(23-17)18-8-10-19(27-3)11-9-18/h4-12,14,26H,13H2,1-3H3