1-(azepan-1-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio]ethanone Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H27N5OS/c1-21(2,3)19-22-16-11-7-6-10-15(16)18-23-24-20(26(18)19)28-14-17(27)25-12-8-4-5-9-13-25/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3