4-methylbenzenesulfonate; 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine

Systemtic Name: 4-methylbenzenesulfonate; 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine Openeye Name: 4-methylbenzenesulfonate; 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine CAS Name: 4-methylbenzenesulfonate; 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine IUPAC Name: 4-methylbenzenesulfonate; 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine Traditional Name: (2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)amine tosylate Formula: C10H14N4O3S2 MolecularWeight: 302.37316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=N[N+](=C(S1)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=N[N+](=C(S1)N)N

InChI

InChI=1S/C7H8O3S.C3H6N4S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-7(5)3(4)8-2/h2-5H,1H3,(H,8,9,10);4H,5H2,1H3