4-(2,3-dimethylphenyl)-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-(2,3-dimethylphenyl)-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-(2,3-dimethylphenyl)-1-(2-methylallylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(2,3-dimethylphenyl)-1-(2-methylprop-2-enylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(2,3-dimethylphenyl)-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-(2,3-dimethylphenyl)-1-(2-methylallylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=C)C)C

InChI

InChI=1S/C21H20N4OS/c1-13(2)12-27-21-23-22-20-24(17-11-7-8-14(3)15(17)4)19(26)16-9-5-6-10-18(16)25(20)21/h5-11H,1,12H2,2-4H3