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

Systemtic Name: 3-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(6-imidazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(6-imidazol-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=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=C(C=C3)N4C=CN=C4

InChI

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