N-(8-methylsulfanyloctyl)-N-quinazolin-4-yl-pyrazole-1-carboxamide

Systemtic Name: N-(8-methylsulfanyloctyl)-N-quinazolin-4-yl-pyrazole-1-carboxamide Openeye Name: N-(8-methylsulfanyloctyl)-N-quinazolin-4-yl-pyrazole-1-carboxamide CAS Name: N-[8-(methylthio)octyl]-N-(4-quinazolinyl)-1-pyrazolecarboxamide IUPAC Name: N-(8-methylsulfanyloctyl)-N-quinazolin-4-ylpyrazole-1-carboxamide Traditional Name: N-[8-(methylthio)octyl]-N-quinazolin-4-yl-pyrazole-1-carboxamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCN(C1=NC=NC2=CC=CC=C21)C(=O)N3C=CC=N3

Isomeric SMILES

CSCCCCCCCCN(C1=NC=NC2=CC=CC=C21)C(=O)N3C=CC=N3

InChI

InChI=1S/C21H27N5OS/c1-28-16-9-5-3-2-4-8-14-25(21(27)26-15-10-13-24-26)20-18-11-6-7-12-19(18)22-17-23-20/h6-7,10-13,15,17H,2-5,8-9,14,16H2,1H3