2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H25N5O2S/c1-19-12-13-25(20(2)14-19)33-27(35)23-10-6-7-11-24(23)31-28(33)36-18-26(34)29-15-21-16-30-32(17-21)22-8-4-3-5-9-22/h3-14,16-17H,15,18H2,1-2H3,(H,29,34)