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

Systemtic Name: 4-methylbenzenesulfonate; 1,3,4-thiadiazol-3-ium-2,3-diamine Openeye Name: 4-methylbenzenesulfonate; 1,3,4-thiadiazol-3-ium-2,3-diamine CAS Name: 4-methylbenzenesulfonate; 1,3,4-thiadiazol-3-ium-2,3-diamine IUPAC Name: 4-methylbenzenesulfonate; 1,3,4-thiadiazol-3-ium-2,3-diamine Traditional Name: (2-amino-1,3,4-thiadiazol-3-ium-3-yl)amine tosylate Formula: C9H12N4O3S2 MolecularWeight: 288.34658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H4N4S/c1-6-2-4-7(5-3-6)11(8,9)10;3-2-6(4)5-1-7-2/h2-5H,1H3,(H,8,9,10);1,3H,4H2