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

Systemtic Name: 5-ethyl-2-hexylsulfanyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-2-hexylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-2-(hexylthio)-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-2-hexylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-ethyl-2-(hexylthio)-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

InChI=1S/C28H34N2OS/c1-4-6-7-13-18-32-27-29-25-23-17-12-11-16-22(23)19-28(3,5-2)24(25)26(31)30(27)20-21-14-9-8-10-15-21/h8-12,14-17H,4-7,13,18-20H2,1-3H3