(4-chloranyl-3-methanoyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl)methyl N-methyl-N-(4-phenyldiazenylphenyl)carbamodithioate

Systemtic Name: (4-chloranyl-3-methanoyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl)methyl N-methyl-N-(4-phenyldiazenylphenyl)carbamodithioate Openeye Name: (4-chloro-3-formyl-5-oxo-1-phenyl-pyrazol-4-yl)methyl N-methyl-N-(4-phenylazophenyl)carbamodithioate CAS Name: N-methyl-N-(4-phenyldiazenylphenyl)carbamodithioic acid (4-chloro-3-formyl-5-oxo-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (4-chloro-3-formyl-5-oxo-1-phenylpyrazol-4-yl)methyl N-methyl-N-(4-phenyldiazenylphenyl)carbamodithioate Traditional Name: N-methyl-N-(4-phenylazophenyl)carbamodithioic acid (4-chloro-3-formyl-5-keto-1-phenyl-2-pyrazolin-4-yl)methyl ester Formula: C25H20ClN5O2S2 MolecularWeight: 522.0416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=S)SCC3(C(=NN(C3=O)C4=CC=CC=C4)C=O)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)C(=S)SCC3(C(=NN(C3=O)C4=CC=CC=C4)C=O)Cl

InChI

InChI=1S/C25H20ClN5O2S2/c1-30(20-14-12-19(13-15-20)28-27-18-8-4-2-5-9-18)24(34)35-17-25(26)22(16-32)29-31(23(25)33)21-10-6-3-7-11-21/h2-16H,17H2,1H3