S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylene)-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylidene)-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(1,2,5-thiadiazol-3-ylmethylene)-1-trityl-4-piperidyl] ester Formula: C29H27N3OS2 MolecularWeight: 497.67418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=NSN=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=NSN=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3OS2/c1-22(33)34-28-17-18-32(21-23(28)19-27-20-30-35-31-27)29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,19-20,28H,17-18,21H2,1H3/b23-19-