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

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-(2-methoxy-5-methyl-phenyl)-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(2-methoxy-5-methylphenyl)-1-(phenacylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(2-methoxy-5-methylphenyl)-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-(2-methoxy-5-methyl-phenyl)-1-(phenacylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-16-12-13-22(32-2)20(14-16)28-23(31)18-10-6-7-11-19(18)29-24(28)26-27-25(29)33-15-21(30)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3