(phenylmethyl) N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamodithioate

Systemtic Name: (phenylmethyl) N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamodithioate Openeye Name: benzyl N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamodithioate CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamodithioate Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamodithioic acid benzyl ester Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)SCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS2/c1-14-17(20-19(24)25-13-15-9-5-3-6-10-15)18(23)22(21(14)2)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,20,24)