N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N5O2S/c1-4-5-6-12-17-31-26(34)22-15-10-11-16-23(22)28-27(31)35-18-24(33)29-25-19(2)30-32(20(25)3)21-13-8-7-9-14-21/h7-11,13-16H,4-6,12,17-18H2,1-3H3,(H,29,33)