2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-sulfonic acid

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-sulfonic acid Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-sulfonic acid CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-pyridinesulfonic acid IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-sulfonic acid Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]pyridine-3-sulfonic acid Formula: C12H16N4O3S2 MolecularWeight: 328.41044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=C(C=CC=N2)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=C(C=CC=N2)S(=O)(=O)O

InChI

InChI=1S/C12H16N4O3S2/c1-9-10(16-8-15-9)7-20-6-5-14-12-11(21(17,18)19)3-2-4-13-12/h2-4,8H,5-7H2,1H3,(H,13,14)(H,15,16)(H,17,18,19)