4-(3-phenyl-1,2-oxazol-5-yl)pyrimidine-2-thiolate

Systemtic Name: 4-(3-phenyl-1,2-oxazol-5-yl)pyrimidine-2-thiolate Openeye Name: 4-(3-phenylisoxazol-5-yl)pyrimidine-2-thiolate CAS Name: 4-(3-phenyl-5-isoxazolyl)-2-pyrimidinethiolate IUPAC Name: 4-(3-phenyl-1,2-oxazol-5-yl)pyrimidine-2-thiolate Traditional Name: 4-(3-phenylisoxazol-5-yl)pyrimidine-2-thiolate Formula: C13H8N3OS- MolecularWeight: 254.28712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)C3=NC(=NC=C3)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)C3=NC(=NC=C3)[S-]

InChI

InChI=1S/C13H9N3OS/c18-13-14-7-6-10(15-13)12-8-11(16-17-12)9-4-2-1-3-5-9/h1-8H,(H,14,15,18)/p-1