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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=N)N(C(N2C3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=N)N(C(N2C3=C(C=C(C=C3)S(=O)(=O)O)[N+](=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)15-9-8-14(30(27,28)29)10-16(15)24(25)26/h4-10,19H,11,20H2,1-3H3,(H,27,28,29)