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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)NC1=S

InChI

InChI=1S/C22H18N4O2S/c1-26-21(28)18-7-4-16(13-19(18)25-22(26)29)20(27)24-17-5-2-14(3-6-17)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,27)(H,25,29)