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

Systemtic Name: 2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O2S/c22-15-12-23-26(13-15)10-11-27-20(29)17-8-4-5-9-18(17)25-21(27)30-14-19(28)24-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14H2,(H,24,28)