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

Systemtic Name: 5-ethyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-5-methyl-2-(2-methylallylsulfanyl)-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(2-methylprop-2-enylthio)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-ethyl-5-methyl-2-(2-methylallylthio)-6H-benzo[h]quinazolin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=C)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=C)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2OS/c1-5-26(4)15-20-13-9-10-14-21(20)23-22(26)24(29)28(16-19-11-7-6-8-12-19)25(27-23)30-17-18(2)3/h6-14H,2,5,15-17H2,1,3-4H3