S-[[1-(triphenylmethyl)pyrazol-4-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[1-(triphenylmethyl)pyrazol-4-yl]methyl] benzenecarbothioate Openeye Name: S-[(1-tritylpyrazol-4-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[1-(triphenylmethyl)-4-pyrazolyl]methyl] ester IUPAC Name: S-[(1-tritylpyrazol-4-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-tritylpyrazol-4-yl)methyl] ester Formula: C30H24N2OS MolecularWeight: 460.58936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC2=CN(N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24N2OS/c33-29(25-13-5-1-6-14-25)34-23-24-21-31-32(22-24)30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22H,23H2