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

Systemtic Name: 5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-2-isopentylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-2-(3-methylbutylthio)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-ethyl-2-(isoamylthio)-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2OS/c1-5-27(4)17-21-13-9-10-14-22(21)24-23(27)25(30)29(18-20-11-7-6-8-12-20)26(28-24)31-16-15-19(2)3/h6-14,19H,5,15-18H2,1-4H3