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

Systemtic Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(pentylthio)-3-phenethyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(amylthio)-5-ethyl-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

InChI=1S/C28H34N2OS/c1-4-6-12-19-32-27-29-25-23-16-11-10-15-22(23)20-28(3,5-2)24(25)26(31)30(27)18-17-21-13-8-7-9-14-21/h7-11,13-16H,4-6,12,17-20H2,1-3H3