1,2-bis(2-methylphenyl)guanidine; 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 1,2-bis(2-methylphenyl)guanidine; 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 1,2-bis(o-tolyl)guanidine; 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid CAS Name: 1,2-bis(2-methylphenyl)guanidine; 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid IUPAC Name: 1,2-bis(2-methylphenyl)guanidine; 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 1,2-bis(o-tolyl)guanidine; 4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]besylic acid Formula: C31H31N7O4S MolecularWeight: 597.68734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O4S.C15H17N3/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25(22,23)24;1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h2-10,15H,1H3,(H,22,23,24);3-10H,1-2H3,(H3,16,17,18)