1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]-4-(o-tolyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylthio]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylthio]-4-(o-tolyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC(=NO5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC(=NO5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C27H21N5O3S/c1-17-7-3-5-9-23(17)31-25(33)21-8-4-6-10-24(21)32-26(31)28-29-27(32)36-16-20-15-22(30-35-20)18-11-13-19(34-2)14-12-18/h3-15H,16H2,1-2H3