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

Systemtic Name: S-[2-[[2-(triphenylmethyl)-1,2,3-triazol-4-yl]sulfanyl]ethyl] ethanethioate Openeye Name: S-[2-(2-trityltriazol-4-yl)sulfanylethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[2-(triphenylmethyl)-4-triazolyl]thio]ethyl] ester IUPAC Name: S-[2-(2-trityltriazol-4-yl)sulfanylethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(2-trityltriazol-4-yl)thio]ethyl] ester Formula: C25H23N3OS2 MolecularWeight: 445.59962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCSC1=NN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SCCSC1=NN(N=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS2/c1-20(29)30-17-18-31-24-19-26-28(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