5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)carbothioylsulfanyl]pentyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate

Systemtic Name: 5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)carbothioylsulfanyl]pentyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate Openeye Name: 5-(5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioyl)sulfanylpentyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioic acid 5-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-sulfanylidenemethyl]thio]pentyl ester IUPAC Name: 5-(5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioyl)sulfanylpentyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbodithioic acid 5-[(5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbothioyl)thio]pentyl ester Formula: C27H28N4O2S4 MolecularWeight: 568.79682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCCCSC(=S)C3=C(NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCCCSC(=S)C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O2S4/c1-18-22(24(32)30(28-18)20-12-6-3-7-13-20)26(34)36-16-10-5-11-17-37-27(35)23-19(2)29-31(25(23)33)21-14-8-4-9-15-21/h3-4,6-9,12-15,28-29H,5,10-11,16-17H2,1-2H3