2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]-N-(2-pyridylmethyl)acetamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H18N4O2S/c27-20(24-14-16-5-3-4-12-23-16)13-15-8-10-17(11-9-15)26-21(28)18-6-1-2-7-19(18)25-22(26)29/h1-12H,13-14H2,(H,24,27)(H,25,29)