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

Systemtic Name: 4-butyl-1-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-1-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-1-[(1-oxo-1-phenylpropan-2-yl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-1-(1-oxo-1-phenylpropan-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-1-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-3-4-14-25-20(28)17-12-8-9-13-18(17)26-21(25)23-24-22(26)29-15(2)19(27)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3