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

Systemtic Name: S-(4-butyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl) ethanethioate Openeye Name: S-(4-butyl-1,2-diphenyl-5-thioxo-pyrazol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(4-butyl-1,2-diphenyl-5-sulfanylidene-3-pyrazolyl) ester IUPAC Name: S-(4-butyl-1,2-diphenyl-5-sulfanylidenepyrazol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(4-butyl-1,2-diphenyl-5-thioxo-3-pyrazolin-3-yl) ester Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCCCC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C21H22N2OS2/c1-3-4-15-19-20(25)22(17-11-7-5-8-12-17)23(21(19)26-16(2)24)18-13-9-6-10-14-18/h5-14H,3-4,15H2,1-2H3