dodecyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate

Systemtic Name: dodecyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate Openeye Name: dodecyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioic acid dodecyl ester IUPAC Name: dodecyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbodithioic acid lauryl ester Formula: C23H34N2OS2 MolecularWeight: 418.65886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C23H34N2OS2/c1-3-4-5-6-7-8-9-10-11-15-18-28-23(27)21-19(2)24-25(22(21)26)20-16-13-12-14-17-20/h12-14,16-17,24H,3-11,15,18H2,1-2H3