dimethyl-[[[1-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]amino]methylidene]azanium

Systemtic Name: dimethyl-[[[1-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]amino]methylidene]azanium Openeye Name: dimethyl-[[[1-methyl-5-[(5-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]amino]methylene]ammonium CAS Name: dimethyl-[[[1-methyl-5-[(5-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]amino]methylidene]ammonium IUPAC Name: dimethyl-[[[1-methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]amino]methylidene]azanium Traditional Name: dimethyl-[[[1-methyl-5-[(5-nitro-2-pyridyl)thio]-1,2,4-triazol-3-yl]amino]methylene]ammonium Formula: C11H14N7O2S+ MolecularWeight: 308.33956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NC=[N+](C)C)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC(=N1)NC=[N+](C)C)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N7O2S/c1-16(2)7-13-10-14-11(17(3)15-10)21-9-5-4-8(6-12-9)18(19)20/h4-7H,1-3H3/p+1