3-(4-methylphenyl)-2-prop-2-ynylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-prop-2-ynylsulfanyl-quinazolin-4-one Openeye Name: 2-prop-2-ynylsulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-(prop-2-ynylthio)-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one Traditional Name: 2-(propargylthio)-3-(p-tolyl)quinazolin-4-one Formula: C18H14N2OS MolecularWeight: 306.38156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#C

InChI

InChI=1S/C18H14N2OS/c1-3-12-22-18-19-16-7-5-4-6-15(16)17(21)20(18)14-10-8-13(2)9-11-14/h1,4-11H,12H2,2H3