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

Systemtic Name: 4-butyl-1-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-1-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-1-(3-phenylpropylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-1-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-1-(3-phenylpropylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-2-3-15-25-20(27)18-13-7-8-14-19(18)26-21(25)23-24-22(26)28-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14H,2-3,9,12,15-16H2,1H3