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

Systemtic Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c21-13(19-8-2-1-3-9-19)10-24-15-16-14(17-18-15)11-4-6-12(7-5-11)20(22)23/h4-7H,1-3,8-10H2,(H,16,17,18)