5-methylsulfonyl-N-(phenylmethyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfonyl-N-(phenylmethyl)-1H-1,2,4-triazol-3-amine Openeye Name: N-benzyl-5-methylsulfonyl-1H-1,2,4-triazol-3-amine CAS Name: 5-methylsulfonyl-N-(phenylmethyl)-1H-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-5-methylsulfonyl-1H-1,2,4-triazol-3-amine Traditional Name: benzyl-(5-mesyl-1H-1,2,4-triazol-3-yl)amine Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1)NCC2=CC=CC=C2

InChI

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