S-(4-methyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl) ethanethioate

Systemtic Name: S-(4-methyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl) ethanethioate Openeye Name: S-(4-methyl-1,2-diphenyl-5-thioxo-pyrazol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(4-methyl-1,2-diphenyl-5-sulfanylidene-3-pyrazolyl) ester IUPAC Name: S-(4-methyl-1,2-diphenyl-5-sulfanylidenepyrazol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(4-methyl-1,2-diphenyl-5-thioxo-3-pyrazolin-3-yl) ester Formula: C18H16N2OS2 MolecularWeight: 340.46244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C18H16N2OS2/c1-13-17(22)19(15-9-5-3-6-10-15)20(18(13)23-14(2)21)16-11-7-4-8-12-16/h3-12H,1-2H3