N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxo-4-quinazolin-4-ylsulfanyl-butanamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-3-oxo-4-(4-quinazolinylthio)butanamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-3-oxo-4-quinazolin-4-ylsulfanylbutanamide Traditional Name: 3-keto-N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-(quinazolin-4-ylthio)butyramide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-15-11-20(27(26-15)16-7-3-2-4-8-16)25-21(29)12-17(28)13-30-22-18-9-5-6-10-19(18)23-14-24-22/h2-11,14H,12-13H2,1H3,(H,25,29)