S-[cyano(pyridin-4-yl)methyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[cyano(pyridin-4-yl)methyl] 4-methylbenzenecarbothioate Openeye Name: S-[cyano(4-pyridyl)methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[cyano(pyridin-4-yl)methyl] ester IUPAC Name: S-[cyano(pyridin-4-yl)methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[cyano(4-pyridyl)methyl] ester Formula: C15H12N2OS MolecularWeight: 268.33358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC(C#N)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC(C#N)C2=CC=NC=C2

InChI

InChI=1S/C15H12N2OS/c1-11-2-4-13(5-3-11)15(18)19-14(10-16)12-6-8-17-9-7-12/h2-9,14H,1H3