5-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)azepane

Systemtic Name: 5-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)azepane Openeye Name: 5-(2-pyridyl)-1-(2-thienylmethyl)-2-(1H-1,2,4-triazol-5-yl)azepane CAS Name: 5-(2-pyridinyl)-1-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)azepane IUPAC Name: 5-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)azepane Traditional Name: 5-(2-pyridyl)-1-(2-thenyl)-2-(1H-1,2,4-triazol-5-yl)azepane Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CCC1C2=CC=CC=N2)CC3=CC=CS3)C4=NC=NN4

Isomeric SMILES

C1CC(N(CCC1C2=CC=CC=N2)CC3=CC=CS3)C4=NC=NN4

InChI

InChI=1S/C18H21N5S/c1-2-9-19-16(5-1)14-6-7-17(18-20-13-21-22-18)23(10-8-14)12-15-4-3-11-24-15/h1-5,9,11,13-14,17H,6-8,10,12H2,(H,20,21,22)