3-phenethylsulfonyl-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-phenethylsulfonyl-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-phenethylsulfonyl-1H-1,2,4-triazole CAS Name: 3-phenethylsulfonyl-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-phenethylsulfonyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-phenethylsulfonyl-1H-1,2,4-triazole Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)S(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=NN1)S(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S/c1-10(2)12-14-13(16-15-12)19(17,18)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15,16)