5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[3-(4-ethylphenoxy)propylsulfonyl]-1H-1,2,4-triazol-3-yl]amine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCS(=O)(=O)C2=NC(=NN2)N

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCS(=O)(=O)C2=NC(=NN2)N

InChI

InChI=1S/C13H18N4O3S/c1-2-10-4-6-11(7-5-10)20-8-3-9-21(18,19)13-15-12(14)16-17-13/h4-7H,2-3,8-9H2,1H3,(H3,14,15,16,17)