4-oxidanylidene-3-phenethyl-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenethyl-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenethyl-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenethyl-N-(3-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenethyl-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenethyl-N-(3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=CC=C4)NC2=S

InChI

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