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

Systemtic Name: 5,5-dimethyl-3-prop-2-enyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-allyl-5,5-dimethyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-3-prop-2-enyl-2-(prop-2-ynylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 5,5-dimethyl-3-prop-2-enyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-allyl-5,5-dimethyl-2-(propargylthio)-6H-benzo[h]quinazolin-4-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2OS/c1-5-11-22-18(23)16-17(21-19(22)24-12-6-2)15-10-8-7-9-14(15)13-20(16,3)4/h2,5,7-10H,1,11-13H2,3-4H3