S-phthalazin-1-yl pyridine-3-carbothioate

Systemtic Name: S-phthalazin-1-yl pyridine-3-carbothioate Openeye Name: S-phthalazin-1-yl pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-(1-phthalazinyl) ester IUPAC Name: S-phthalazin-1-yl pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-phthalazin-1-yl ester Formula: C14H9N3OS MolecularWeight: 267.30576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SC(=O)C3=CN=CC=C3

InChI

InChI=1S/C14H9N3OS/c18-14(11-5-3-7-15-8-11)19-13-12-6-2-1-4-10(12)9-16-17-13/h1-9H