1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-4-propyl-[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:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4=C(C=CC(=C4)C)C

InChI

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