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

Systemtic Name: 5-[1-(thiophen-3-ylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[1-(3-thienylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[1-(3-thiophenylmethyl)-4-azepanyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[1-(thiophen-3-ylmethyl)azepan-4-yl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[1-(3-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=CSC=C2)C3=NC(=NN3)N

Isomeric SMILES

C1CC(CCN(C1)CC2=CSC=C2)C3=NC(=NN3)N

InChI

InChI=1S/C13H19N5S/c14-13-15-12(16-17-13)11-2-1-5-18(6-3-11)8-10-4-7-19-9-10/h4,7,9,11H,1-3,5-6,8H2,(H3,14,15,16,17)