3-(3,4-dimethylphenyl)-2-prop-2-enylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-prop-2-enylsulfanyl-quinazolin-4-one Openeye Name: 2-allylsulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-(prop-2-enylthio)-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-prop-2-enylsulfanylquinazolin-4-one Traditional Name: 2-(allylthio)-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2OS/c1-4-11-23-19-20-17-8-6-5-7-16(17)18(22)21(19)15-10-9-13(2)14(3)12-15/h4-10,12H,1,11H2,2-3H3