N3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-[4-(1-piperidylsulfonyl)phenyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(4-piperidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-(4-piperidinosulfonylphenyl)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)NC3=NNC(=N3)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NNC(=N3)N

InChI

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