N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5)C

InChI

InChI=1S/C26H27N5O2S/c1-17-8-7-13-22(18(17)2)30-25(33)20-11-5-6-12-21(20)28-26(30)34-16-24(32)29-23-14-15-27-31(23)19-9-3-4-10-19/h5-8,11-15,19H,3-4,9-10,16H2,1-2H3,(H,29,32)