1-methylsulfonyl-3-phenethyl-1,2,4-triazole

Systemtic Name: 1-methylsulfonyl-3-phenethyl-1,2,4-triazole Openeye Name: 1-methylsulfonyl-3-phenethyl-1,2,4-triazole CAS Name: 1-methylsulfonyl-3-phenethyl-1,2,4-triazole IUPAC Name: 1-methylsulfonyl-3-phenethyl-1,2,4-triazole Traditional Name: 1-mesyl-3-phenethyl-1,2,4-triazole Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=NC(=N1)CCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1C=NC(=N1)CCC2=CC=CC=C2

InChI

InChI=1S/C11H13N3O2S/c1-17(15,16)14-9-12-11(13-14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3