S-[2-[5-[[(triphenylmethyl)amino]methyl]-1,2,3,4-tetrazol-1-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[5-[[(triphenylmethyl)amino]methyl]-1,2,3,4-tetrazol-1-yl]ethyl] ethanethioate Openeye Name: S-[2-[5-[(tritylamino)methyl]tetrazol-1-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[5-[[(triphenylmethyl)amino]methyl]-1-tetrazolyl]ethyl] ester IUPAC Name: S-[2-[5-[(tritylamino)methyl]tetrazol-1-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[5-[(tritylamino)methyl]tetrazol-1-yl]ethyl] ester Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN1C(=NN=N1)CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SCCN1C(=NN=N1)CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-20(31)32-18-17-30-24(27-28-29-30)19-26-25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,26H,17-19H2,1H3