4-oxidanylidene-3-phenyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenyl-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenyl-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenyl-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

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