5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[1-(2-thienylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[1-(thiophen-2-ylmethyl)-4-azepanyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[1-(2-thenyl)azepan-4-yl]-1H-1,2,4-triazol-3-yl]amine Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NN3)N

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CS2)C3=NC(=NN3)N

InChI

InChI=1S/C13H19N5S/c14-13-15-12(16-17-13)10-3-1-6-18(7-5-10)9-11-4-2-8-19-11/h2,4,8,10H,1,3,5-7,9H2,(H3,14,15,16,17)