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

Systemtic Name: 5-ethyl-5-methyl-2-pentylsulfanyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-5-methyl-2-pentylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(pentylthio)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-pentylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(amylthio)-3-benzyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

InChI=1S/C27H32N2OS/c1-4-6-12-17-31-26-28-24-22-16-11-10-15-21(22)18-27(3,5-2)23(24)25(30)29(26)19-20-13-8-7-9-14-20/h7-11,13-16H,4-6,12,17-19H2,1-3H3