3-(2,3-dimethylphenyl)-4-oxidanylidene-N-(6-pyrazol-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-(6-pyrazol-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(6-pyrazol-1-yl-3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[6-(1-pyrazolyl)-3-pyridinyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(6-pyrazol-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(6-pyrazol-1-yl-3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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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)NC4=CN=C(C=C4)N5C=CC=N5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CN=C(C=C4)N5C=CC=N5)NC2=S)C

InChI

InChI=1S/C25H20N6O2S/c1-15-5-3-6-21(16(15)2)31-24(33)19-9-7-17(13-20(19)29-25(31)34)23(32)28-18-8-10-22(26-14-18)30-12-4-11-27-30/h3-14H,1-2H3,(H,28,32)(H,29,34)