1-(azocan-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c22-15(21-11-7-2-1-3-8-12-21)13-23-17-18-16(19-20-17)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2,(H,18,19,20)