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

Systemtic Name: octyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate Openeye Name: octyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioic acid octyl ester IUPAC Name: octyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbodithioic acid octyl ester Formula: C19H26N2OS2 MolecularWeight: 362.55254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2OS2/c1-3-4-5-6-7-11-14-24-19(23)17-15(2)20-21(18(17)22)16-12-9-8-10-13-16/h8-10,12-13,20H,3-7,11,14H2,1-2H3