1-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]amine Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=NC(=N3)N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=NC(=N3)N)N

InChI

InChI=1S/C13H18N6O2S/c14-12-16-13(15)19(17-12)10-4-6-11(7-5-10)22(20,21)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H4,14,15,16,17)