5-[4-amino-3-imino-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitro-benzenesulfonic acid
Molecular Formula:
C18H22N6O5S
InChI: InChI=1/C18H22N6O5S/c1-12-4-6-13(7-5-12)11-21-17(19)22(20)18(2,3)23(21)14-8-9-15(24(25)26)16(10-14)30(27,28)29/h4-10,19H,11,20H2,1-3H3,(H,27,28,29)/b19-17-/f/h27H
InChIKey: InChIKey=WRZHURGPXNINQB-FCPAEAAPDU
SMILES: CC1=CC=C(C=C1)CN2C(=N)N(C(N2C3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)(C)C)N
Names:
5-[4-amino-3-imino-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitro-benzenesulfonic acid
Registries:
PubChem CID 3597222
PubChem ID 9759776
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