S-[2-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]ethyl] ethanethioate Openeye Name: S-[2-(1-trityl-1,2,4-triazol-3-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]ethyl] ester IUPAC Name: S-[2-(1-trityl-1,2,4-triazol-3-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1-trityl-1,2,4-triazol-3-yl)ethyl] ester Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=NN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SCCC1=NN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-20(29)30-18-17-24-26-19-28(27-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19H,17-18H2,1H3