S-[(3Z)-3-(pyridin-4-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(pyridin-4-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(4-pyridylmethylene)-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(pyridin-4-ylmethylidene)-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(pyridin-4-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(4-pyridylmethylene)-1-trityl-4-piperidyl] ester Formula: C32H30N2OS MolecularWeight: 490.6584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H30N2OS/c1-25(35)36-31-19-22-34(24-27(31)23-26-17-20-33-21-18-26)32(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,20-21,23,31H,19,22,24H2,1H3/b27-23-