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

Systemtic Name: S-(4-butyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl) benzenecarbothioate Openeye Name: S-(4-butyl-1,2-diphenyl-5-thioxo-pyrazol-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4-butyl-1,2-diphenyl-5-sulfanylidene-3-pyrazolyl) ester IUPAC Name: S-(4-butyl-1,2-diphenyl-5-sulfanylidenepyrazol-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4-butyl-1,2-diphenyl-5-thioxo-3-pyrazolin-3-yl) ester Formula: C26H24N2OS2 MolecularWeight: 444.61156

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS2/c1-2-3-19-23-24(30)27(21-15-9-5-10-16-21)28(22-17-11-6-12-18-22)25(23)31-26(29)20-13-7-4-8-14-20/h4-18H,2-3,19H2,1H3