4-[2-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]amino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]amino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C15H20N6O2S2 MolecularWeight: 380.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)CC(=O)N

InChI

InChI=1S/C15H20N6O2S2/c16-12(22)8-20-5-3-10(4-6-20)17-13(23)9-21-14(18-19-15(21)24)11-2-1-7-25-11/h1-2,7,10H,3-6,8-9H2,(H2,16,22)(H,17,23)(H,19,24)