5,5-dimethyl-1-(2-methylprop-2-enyl)-2-(phenylsulfanylmethyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5,5-dimethyl-1-(2-methylprop-2-enyl)-2-(phenylsulfanylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 5,5-dimethyl-1-(2-methylallyl)-2-(phenylsulfanylmethyl)-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-1-(2-methylprop-2-enyl)-2-[(phenylthio)methyl]-6H-benzo[h]quinazolin-4-one IUPAC Name: 5,5-dimethyl-1-(2-methylprop-2-enyl)-2-(phenylsulfanylmethyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 5,5-dimethyl-1-(2-methylallyl)-2-[(phenylthio)methyl]-6H-benzo[h]quinazolin-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NC(=O)C2=C1C3=CC=CC=C3CC2(C)C)CSC4=CC=CC=C4

Isomeric SMILES

CC(=C)CN1C(=NC(=O)C2=C1C3=CC=CC=C3CC2(C)C)CSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c1-17(2)15-27-21(16-29-19-11-6-5-7-12-19)26-24(28)22-23(27)20-13-9-8-10-18(20)14-25(22,3)4/h5-13H,1,14-16H2,2-4H3