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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)N

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)N

InChI

InChI=1S/C15H19N5OS/c16-14-17-15(19-18-14)22-12(11-7-3-1-4-8-11)13(21)20-9-5-2-6-10-20/h1,3-4,7-8,12H,2,5-6,9-10H2,(H3,16,17,18,19)