5-ethyl-5-methyl-3-phenethyl-2-propan-2-ylsulfanyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-3-phenethyl-2-propan-2-ylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5-ethyl-2-isopropylsulfanyl-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-3-phenethyl-2-(propan-2-ylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-5-methyl-3-phenethyl-2-propan-2-ylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 5-ethyl-2-(isopropylthio)-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC(C)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC(C)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N2OS/c1-5-26(4)17-20-13-9-10-14-21(20)23-22(26)24(29)28(25(27-23)30-18(2)3)16-15-19-11-7-6-8-12-19/h6-14,18H,5,15-17H2,1-4H3