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

Systemtic Name: 5,5-dimethyl-2-phenacylsulfanyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-allyl-5,5-dimethyl-2-phenacylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-2-(phenacylthio)-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 5,5-dimethyl-2-phenacylsulfanyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-allyl-5,5-dimethyl-2-(phenacylthio)-6H-benzo[h]quinazolin-4-one Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O2S/c1-4-14-27-23(29)21-22(19-13-9-8-12-18(19)15-25(21,2)3)26-24(27)30-16-20(28)17-10-6-5-7-11-17/h4-13H,1,14-16H2,2-3H3