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

Systemtic Name: S-(4-methyl-1,2-diphenyl-5-sulfanylidene-pyrazol-3-yl) benzenecarbothioate Openeye Name: S-(4-methyl-1,2-diphenyl-5-thioxo-pyrazol-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4-methyl-1,2-diphenyl-5-sulfanylidene-3-pyrazolyl) ester IUPAC Name: S-(4-methyl-1,2-diphenyl-5-sulfanylidenepyrazol-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4-methyl-1,2-diphenyl-5-thioxo-3-pyrazolin-3-yl) ester Formula: C23H18N2OS2 MolecularWeight: 402.53182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N(N(C1=S)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2OS2/c1-17-21(27)24(19-13-7-3-8-14-19)25(20-15-9-4-10-16-20)22(17)28-23(26)18-11-5-2-6-12-18/h2-16H,1H3