5-[6-(azepan-1-yl)pyrazin-2-yl]-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-[6-(azepan-1-yl)pyrazin-2-yl]-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-[6-(azepan-1-yl)pyrazin-2-yl]-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-[6-(1-azepanyl)-2-pyrazinyl]-2-(4-morpholin-4-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-[6-(azepan-1-yl)pyrazin-2-yl]-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-[6-(azepan-1-yl)pyrazin-2-yl]-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C17H26N7OS+ MolecularWeight: 376.49964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CN=C2)C3=NC(=S)N(N3)C[NH+]4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CN=C2)C3=NC(=S)N(N3)C[NH+]4CCOCC4

InChI

InChI=1S/C17H25N7OS/c26-17-20-16(21-24(17)13-22-7-9-25-10-8-22)14-11-18-12-15(19-14)23-5-3-1-2-4-6-23/h11-12H,1-10,13H2,(H,20,21,26)/p+1