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

Systemtic Name: 3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: 3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: 3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O2S/c1-12-18(22)13(2)26(24-12)11-14-6-5-7-15(10-14)19(28)25-27-20(29)16-8-3-4-9-17(16)23-21(27)30/h3-10H,11H2,1-2H3,(H,23,30)(H,25,28)