N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)C

InChI

InChI=1S/C25H25N5O2S/c1-5-14-29-24(32)20-8-6-7-9-21(20)26-25(29)33-15-22(31)27-23-17(3)28-30(18(23)4)19-12-10-16(2)11-13-19/h5-13H,1,14-15H2,2-4H3,(H,27,31)