S-[[2-(triphenylmethyl)-1,2,4-triazol-3-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[2-(triphenylmethyl)-1,2,4-triazol-3-yl]methyl] benzenecarbothioate Openeye Name: S-[(2-trityl-1,2,4-triazol-3-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[2-(triphenylmethyl)-1,2,4-triazol-3-yl]methyl] ester IUPAC Name: S-[(2-trityl-1,2,4-triazol-3-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2-trityl-1,2,4-triazol-3-yl)methyl] ester Formula: C29H23N3OS MolecularWeight: 461.57742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC2=NC=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC2=NC=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3OS/c33-28(23-13-5-1-6-14-23)34-21-27-30-22-31-32(27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2