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

Systemtic Name: (2S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: (2S)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: (2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: (2S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-2-methyl-propionamide Formula: C17H18BrN5O2S MolecularWeight: 436.32612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Br

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Br

InChI

InChI=1S/C17H18BrN5O2S/c1-9(8-22-11(3)14(18)10(2)20-22)15(24)21-23-16(25)12-6-4-5-7-13(12)19-17(23)26/h4-7,9H,8H2,1-3H3,(H,19,26)(H,21,24)/t9-/m0/s1