5-azanylidene-N4,1-bis(4-methylsulfonylphenyl)-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-azanylidene-N4,1-bis(4-methylsulfonylphenyl)-1,2,4-triazole-3,4-diamine Openeye Name: 5-imino-N4,1-bis(4-methylsulfonylphenyl)-1,2,4-triazole-3,4-diamine CAS Name: 5-imino-N4,1-bis(4-methylsulfonylphenyl)-1,2,4-triazole-3,4-diamine IUPAC Name: 5-imino-4-N,1-bis(4-methylsulfonylphenyl)-1,2,4-triazole-3,4-diamine Traditional Name: [3-amino-5-imino-1-(4-mesylphenyl)-1,2,4-triazol-4-yl]-(4-mesylphenyl)amine Formula: C16H18N6O4S2 MolecularWeight: 422.48192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NN2C(=NN(C2=N)C3=CC=C(C=C3)S(=O)(=O)C)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NN2C(=NN(C2=N)C3=CC=C(C=C3)S(=O)(=O)C)N

InChI

InChI=1S/C16H18N6O4S2/c1-27(23,24)13-7-3-11(4-8-13)19-22-15(17)20-21(16(22)18)12-5-9-14(10-6-12)28(2,25)26/h3-10,18-19H,1-2H3,(H2,17,20)