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

Systemtic Name: 4-[[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-methyl-5-[(3-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-methyl-5-[(3-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-methyl-5-[(3-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=C(C=CC=N2)[N+](=O)[O-])C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-])C[NH+]3CCOCC3

InChI

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