3-[4-(2-methylpropyl)-5-[(4-phenylquinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(4-phenylquinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(4-phenylquinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[(4-phenyl-2-quinazolinyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(4-phenylquinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(4-phenylquinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C24H26N6OS/c1-16(2)14-30-22(13-12-20(25)31)28-29-24(30)32-15-21-26-19-11-7-6-10-18(19)23(27-21)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H2,25,31)