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

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-1-(2-oxidanylidenepropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-acetonylsulfanyl-4-(2-methoxy-5-methyl-phenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-(2-methoxy-5-methylphenyl)-1-(2-oxopropylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-(2-methoxy-5-methylphenyl)-1-(2-oxopropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(acetonylthio)-4-(2-methoxy-5-methyl-phenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-12-8-9-17(27-3)16(10-12)23-18(26)14-6-4-5-7-15(14)24-19(23)21-22-20(24)28-11-13(2)25/h4-10H,11H2,1-3H3