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

Systemtic Name: 1-(thiophen-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)azepane Openeye Name: 1-(2-thienylmethyl)-4-(1H-1,2,4-triazol-5-yl)azepane CAS Name: 1-(thiophen-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)azepane IUPAC Name: 1-(thiophen-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)azepane Traditional Name: 1-(2-thenyl)-4-(1H-1,2,4-triazol-5-yl)azepane Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4S/c1-3-11(13-14-10-15-16-13)5-7-17(6-1)9-12-4-2-8-18-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,14,15,16)