3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-9-14(17)10(2)21(19-9)8-7-13(23)20-22-15(24)11-5-3-4-6-12(11)18-16(22)25/h3-6H,7-8H2,1-2H3,(H,18,25)(H,20,23)