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

Systemtic Name: S-[2-oxidanylidene-2-[[1-(triphenylmethyl)-1,2,3-triazol-4-yl]amino]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[(1-trityltriazol-4-yl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[[1-(triphenylmethyl)-4-triazolyl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[(1-trityltriazol-4-yl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(1-trityltriazol-4-yl)amino]ethyl] ester Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SCC(=O)NC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-19(30)32-18-24(31)26-23-17-29(28-27-23)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17H,18H2,1H3,(H,26,31)