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

Systemtic Name: 2-butylsulfanyl-5,5-dimethyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-2-butylsulfanyl-5,5-dimethyl-6H-benzo[h]quinazolin-4-one CAS Name: 2-(butylthio)-5,5-dimethyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-2-butylsulfanyl-5,5-dimethyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-2-(butylthio)-5,5-dimethyl-6H-benzo[h]quinazolin-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2OS/c1-4-5-15-29-24-26-22-20-14-10-9-13-19(20)16-25(2,3)21(22)23(28)27(24)17-18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3