4-[[4-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-methyl-5-[(5-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-[(5-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-methyl-5-[(5-nitro-2-pyridyl)thio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Formula: C13H17N6O3S+ MolecularWeight: 337.37748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C[NH+]3CCOCC3

InChI

InChI=1S/C13H16N6O3S/c1-17-11(9-18-4-6-22-7-5-18)15-16-13(17)23-12-3-2-10(8-14-12)19(20)21/h2-3,8H,4-7,9H2,1H3/p+1