4-butyl-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-butyl-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-1-(2-phenoxyethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-1-(2-phenoxyethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-1-(2-phenoxyethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-2-3-13-24-19(26)17-11-7-8-12-18(17)25-20(24)22-23-21(25)28-15-14-27-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3