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

Systemtic Name: octyl 2-dodecyl-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate Openeye Name: octyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate CAS Name: 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioic acid octyl ester IUPAC Name: octyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-1-lauryl-3-methyl-3-pyrazoline-4-carbodithioic acid octyl ester Formula: C25H46N2OS2 MolecularWeight: 454.77554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCC

InChI

InChI=1S/C25H46N2OS2/c1-4-6-8-10-12-13-14-15-16-18-20-27-24(28)23(22(3)26-27)25(29)30-21-19-17-11-9-7-5-2/h26H,4-21H2,1-3H3