2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H22ClN5O2S/c1-5-10-25-19(28)15-7-6-14(21)11-16(15)23-20(25)29-13(4)18(27)24-17-8-9-22-26(17)12(2)3/h5-9,11-13H,1,10H2,2-4H3,(H,24,27)