2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(azocan-1-yl)ethanone Formula: C15H27N5OS MolecularWeight: 325.47278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCCCCCC2

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCCCCCC2

InChI

InChI=1S/C15H27N5OS/c1-15(2,3)13-17-18-14(20(13)16)22-11-12(21)19-9-7-5-4-6-8-10-19/h4-11,16H2,1-3H3