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

Systemtic Name: 5-bromanylpentyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbodithioate Openeye Name: 5-bromopentyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioic acid 5-bromopentyl ester IUPAC Name: 5-bromopentyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbodithioic acid 5-bromopentyl ester Formula: C16H19BrN2OS2 MolecularWeight: 399.36886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCCCBr

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCCCBr

InChI

InChI=1S/C16H19BrN2OS2/c1-12-14(16(21)22-11-7-3-6-10-17)15(20)19(18-12)13-8-4-2-5-9-13/h2,4-5,8-9,18H,3,6-7,10-11H2,1H3