3-(6-imidazol-1-yl-6-oxidanylidene-hexyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(6-imidazol-1-yl-6-oxidanylidene-hexyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(6-imidazol-1-yl-6-oxo-hexyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(1-imidazolyl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(6-imidazol-1-yl-6-oxohexyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(6-imidazol-1-yl-6-keto-hexyl)-2-thioxo-1H-quinazolin-4-one Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)N3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)N3C=CN=C3

InChI

InChI=1S/C17H18N4O2S/c22-15(20-11-9-18-12-20)8-2-1-5-10-21-16(23)13-6-3-4-7-14(13)19-17(21)24/h3-4,6-7,9,11-12H,1-2,5,8,10H2,(H,19,24)