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

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(4-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(4-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=NC=C4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=NC=C4)NC2=S)C

InChI

InChI=1S/C23H20N4O2S/c1-14-4-3-5-20(15(14)2)27-22(29)18-7-6-17(12-19(18)26-23(27)30)21(28)25-13-16-8-10-24-11-9-16/h3-12H,13H2,1-2H3,(H,25,28)(H,26,30)