5,5-dimethyl-2-(phenylmethylsulfanyl)-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5,5-dimethyl-2-(phenylmethylsulfanyl)-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-allyl-2-benzylsulfanyl-5,5-dimethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-2-(phenylmethylthio)-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 2-benzylsulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-allyl-2-(benzylthio)-5,5-dimethyl-6H-benzo[h]quinazolin-4-one Formula: C24H24N2OS MolecularWeight: 388.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC4=CC=CC=C4)CC=C)C

InChI

InChI=1S/C24H24N2OS/c1-4-14-26-22(27)20-21(19-13-9-8-12-18(19)15-24(20,2)3)25-23(26)28-16-17-10-6-5-7-11-17/h4-13H,1,14-16H2,2-3H3