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

Systemtic Name: S-[(3Z)-3-(pyridin-3-ylmethylidene)-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(3-pyridylmethylene)-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(3-pyridinylmethylidene)-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(pyridin-3-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(3-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=CN=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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