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

Systemtic Name: 2-butylsulfanyl-5-ethyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-2-butylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 2-(butylthio)-5-ethyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-2-butylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-2-(butylthio)-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

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