2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=NN4C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=NN4C(C)C)C

InChI

InChI=1S/C25H27N5O2S/c1-15(2)30-22(12-13-26-30)28-23(31)18(5)33-25-27-20-9-7-6-8-19(20)24(32)29(25)21-11-10-16(3)14-17(21)4/h6-15,18H,1-5H3,(H,28,31)