2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC=C

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC=C

InChI

InChI=1S/C20H22ClN5O2S/c1-3-9-22-18(27)13-29-20-23-17-8-5-4-7-15(17)19(28)26(20)11-6-10-25-12-16(21)14(2)24-25/h3-5,7-8,12H,1,6,9-11,13H2,2H3,(H,22,27)