2-[5-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-1,2,4-triazol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-1,2,4-triazol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-1,2,4-triazol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[5-(1H-benzimidazol-2-ylthio)-3-nitro-1,2,4-triazol-1-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-1,2,4-triazol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[5-(1H-benzimidazol-2-ylthio)-3-nitro-1,2,4-triazol-1-yl]-1-piperidino-ethanone Formula: C16H17N7O3S MolecularWeight: 387.41628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H17N7O3S/c24-13(21-8-4-1-5-9-21)10-22-16(19-14(20-22)23(25)26)27-15-17-11-6-2-3-7-12(11)18-15/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)