4-(2-methoxy-5-methyl-phenyl)-1-propylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-1-propylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-(2-methoxy-5-methyl-phenyl)-1-propylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(2-methoxy-5-methylphenyl)-1-(propylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(2-methoxy-5-methylphenyl)-1-propylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-(2-methoxy-5-methyl-phenyl)-1-(propylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCCSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C20H20N4O2S/c1-4-11-27-20-22-21-19-23(16-12-13(2)9-10-17(16)26-3)18(25)14-7-5-6-8-15(14)24(19)20/h5-10,12H,4,11H2,1-3H3