5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-phenoxybutylsulfonyl)-1H-1,2,4-triazol-3-yl]amine Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCS(=O)(=O)C2=NC(=NN2)N

Isomeric SMILES

C1=CC=C(C=C1)OCCCCS(=O)(=O)C2=NC(=NN2)N

InChI

InChI=1S/C12H16N4O3S/c13-11-14-12(16-15-11)20(17,18)9-5-4-8-19-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H3,13,14,15,16)