5-ethyl-5-methyl-2-pentylsulfanyl-3-phenyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(pentylthio)-3-phenyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(amylthio)-5-ethyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

InChI=1S/C26H30N2OS/c1-4-6-12-17-30-25-27-23-21-16-11-10-13-19(21)18-26(3,5-2)22(23)24(29)28(25)20-14-8-7-9-15-20/h7-11,13-16H,4-6,12,17-18H2,1-3H3