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

Systemtic Name: 3,5,5-trimethyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3,5,5-trimethyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 3,5,5-trimethyl-2-(prop-2-ynylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3,5,5-trimethyl-2-prop-2-ynylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3,5,5-trimethyl-2-(propargylthio)-6H-benzo[h]quinazolin-4-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2OS/c1-5-10-22-17-19-15-13-9-7-6-8-12(13)11-18(2,3)14(15)16(21)20(17)4/h1,6-9H,10-11H2,2-4H3