2-methylsulfonyl-5-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: 2-methylsulfonyl-5-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Openeye Name: 2-methylsulfonyl-5-(3-pyridyl)-N-(2-thienylmethyl)-1,2,4-triazol-3-amine CAS Name: 2-methylsulfonyl-5-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine IUPAC Name: 2-methylsulfonyl-5-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine Traditional Name: [2-mesyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-(2-thenyl)amine Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CS3

InChI

InChI=1S/C13H13N5O2S2/c1-22(19,20)18-13(15-9-11-5-3-7-21-11)16-12(17-18)10-4-2-6-14-8-10/h2-8H,9H2,1H3,(H,15,16,17)