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

Systemtic Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-propan-2-ylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-ethyl-2-isopropylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-3-(phenylmethyl)-2-(propan-2-ylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-ethyl-5-methyl-2-propan-2-ylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-ethyl-2-(isopropylthio)-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2OS/c1-5-25(4)15-19-13-9-10-14-20(19)22-21(25)23(28)27(24(26-22)29-17(2)3)16-18-11-7-6-8-12-18/h6-14,17H,5,15-16H2,1-4H3