3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN3C(=O)C4=CC=CC=C4NC3=S)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN3C(=O)C4=CC=CC=C4NC3=S)C

InChI

InChI=1S/C21H19N5O2S/c1-13-10-14(2)25(23-13)12-15-6-5-7-16(11-15)19(27)24-26-20(28)17-8-3-4-9-18(17)22-21(26)29/h3-11H,12H2,1-2H3,(H,22,29)(H,24,27)