5-[4-azanyl-3-azanylidene-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitro-benzenesulfonic acid

Systemtic Name: 5-[4-azanyl-3-azanylidene-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitro-benzenesulfonic acid Openeye Name: 5-[4-amino-3-imino-5,5-dimethyl-2-(p-tolylmethyl)-1,2,4-triazolidin-1-yl]-2-nitro-benzenesulfonic acid CAS Name: 5-[4-amino-3-imino-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitrobenzenesulfonic acid IUPAC Name: 5-[4-amino-3-imino-5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazolidin-1-yl]-2-nitrobenzenesulfonic acid Traditional Name: 5-[4-amino-3-imino-5,5-dimethyl-2-(4-methylbenzyl)-1,2,4-triazolidin-1-yl]-2-nitro-besylic acid Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical 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

Isomeric 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

InChI

InChI=1S/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)