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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-ethyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-2-[(2,4-dimethylbenzyl)thio]-5-ethyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C31H32N2OS MolecularWeight: 480.66358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2OS/c1-5-31(4)18-24-13-9-10-14-26(24)28-27(31)29(34)33(19-23-11-7-6-8-12-23)30(32-28)35-20-25-16-15-21(2)17-22(25)3/h6-17H,5,18-20H2,1-4H3