3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(6-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(6-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C17H13N5OS/c23-16-13-4-1-2-5-14(13)20-17(24)21(16)11-12-6-7-15(18-10-12)22-9-3-8-19-22/h1-10H,11H2,(H,20,24)