S-[(3-cyano-4,6-diphenyl-pyridin-2-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(3-cyano-4,6-diphenyl-pyridin-2-yl)methyl] benzenecarbothioate Openeye Name: S-[(3-cyano-4,6-diphenyl-2-pyridyl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(3-cyano-4,6-diphenyl-2-pyridinyl)methyl] ester IUPAC Name: S-[(3-cyano-4,6-diphenylpyridin-2-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(3-cyano-4,6-diphenyl-2-pyridyl)methyl] ester Formula: C26H18N2OS MolecularWeight: 406.49892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)CSC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)CSC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H18N2OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)28-25(23)18-30-26(29)21-14-8-3-9-15-21/h1-16H,18H2