S-[(3Z)-3-[(1-methylimidazol-2-yl)methylidene]-1-(triphenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-[(1-methylimidazol-2-yl)methylidene]-1-(triphenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-[(1-methylimidazol-2-yl)methylene]-1-trityl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-[(1-methyl-2-imidazolyl)methylidene]-1-(triphenylmethyl)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-[(1-methylimidazol-2-yl)methylidene]-1-tritylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-[(1-methylimidazol-2-yl)methylene]-1-trityl-4-piperidyl] ester Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=NC=CN2C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=NC=CN2C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3OS/c1-24(35)36-29-18-20-34(23-25(29)22-30-32-19-21-33(30)2)31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,19,21-22,29H,18,20,23H2,1-2H3/b25-22-