2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-15-6-8-17(9-7-15)25-20(29)14-31-22-26-19-5-3-2-4-18(19)21(30)28(22)11-10-27-13-16(23)12-24-27/h2-9,12-13H,10-11,14H2,1H3,(H,25,29)