S-(6-methyl-2-pyridin-4-ylcarbonylsulfanyl-pyrimidin-4-yl) pyridine-4-carbothioate

Systemtic Name: S-(6-methyl-2-pyridin-4-ylcarbonylsulfanyl-pyrimidin-4-yl) pyridine-4-carbothioate Openeye Name: S-[6-methyl-2-(pyridine-4-carbonylsulfanyl)pyrimidin-4-yl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[6-methyl-2-[[oxo(pyridin-4-yl)methyl]thio]-4-pyrimidinyl] ester IUPAC Name: S-[6-methyl-2-(pyridine-4-carbonylsulfanyl)pyrimidin-4-yl] pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-[2-(isonicotinoylthio)-6-methyl-pyrimidin-4-yl] ester Formula: C17H12N4O2S2 MolecularWeight: 368.43278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=NC=C2)SC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=NC=C2)SC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H12N4O2S2/c1-11-10-14(24-15(22)12-2-6-18-7-3-12)21-17(20-11)25-16(23)13-4-8-19-9-5-13/h2-10H,1H3