2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N=C4C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N=C4C)C)C

InChI

InChI=1S/C26H29N5O2S/c1-5-6-9-19-12-14-20(15-13-19)31-25(33)21-10-7-8-11-22(21)27-26(31)34-16-23(32)28-24-17(2)29-30(4)18(24)3/h7-8,10-15H,5-6,9,16H2,1-4H3,(H,28,32)