(3,5-dimethylphenyl)methanesulfonate; 1,3-thiazol-3-ium-2,3-diamine

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 1,3-thiazol-3-ium-2,3-diamine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; thiazol-3-ium-2,3-diamine CAS Name: (3,5-dimethylphenyl)methanesulfonate; thiazol-3-ium-2,3-diamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 1,3-thiazol-3-ium-2,3-diamine Traditional Name: (2-aminothiazol-3-ium-3-yl)amine; (3,5-dimethylphenyl)methanesulfonate Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CSC(=[N+]1N)N

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CSC(=[N+]1N)N

InChI

InChI=1S/C9H12O3S.C3H5N3S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;4-3-6(5)1-2-7-3/h3-5H,6H2,1-2H3,(H,10,11,12);1-2,4H,5H2