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

Systemtic Name: 4-butyl-1-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-1-(4-oxo-4-phenyl-butyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-1-[(4-oxo-4-phenylbutyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-1-(4-oxo-4-phenylbutyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-1-[(4-keto-4-phenyl-butyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-2-3-15-26-21(29)18-12-7-8-13-19(18)27-22(26)24-25-23(27)30-16-9-14-20(28)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3