5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-(p-tolylmethylsulfonyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-methylbenzyl)sulfonyl-1H-1,2,4-triazol-3-yl]amine Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

InChI

InChI=1S/C10H12N4O2S/c1-7-2-4-8(5-3-7)6-17(15,16)10-12-9(11)13-14-10/h2-5H,6H2,1H3,(H3,11,12,13,14)