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

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-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=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

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