4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)benzamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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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)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O2S/c26-19(23-13-15-5-3-4-12-22-15)14-8-10-16(11-9-14)25-20(27)17-6-1-2-7-18(17)24-21(25)28/h1-12H,13H2,(H,23,26)(H,24,28)