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

Systemtic Name: 4-butyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-1-(2-cyclohexyl-2-oxo-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-1-[(2-cyclohexyl-2-oxoethyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-1-(2-cyclohexyl-2-oxoethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-1-[(2-cyclohexyl-2-keto-ethyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4CCCCC4

InChI

InChI=1S/C21H26N4O2S/c1-2-3-13-24-19(27)16-11-7-8-12-17(16)25-20(24)22-23-21(25)28-14-18(26)15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3