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

Systemtic Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-2-benzylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-(phenylmethylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-2-benzylsulfanyl-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-2-(benzylthio)-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C29H28N2OS MolecularWeight: 452.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H28N2OS/c1-3-29(2)18-23-16-10-11-17-24(23)26-25(29)27(32)31(19-21-12-6-4-7-13-21)28(30-26)33-20-22-14-8-5-9-15-22/h4-17H,3,18-20H2,1-2H3