1-(5-methyl-3-thiophen-2-yl-1,2,4-triazol-1-yl)azepane

Systemtic Name: 1-(5-methyl-3-thiophen-2-yl-1,2,4-triazol-1-yl)azepane Openeye Name: 1-[5-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]azepane CAS Name: 1-(5-methyl-3-thiophen-2-yl-1,2,4-triazol-1-yl)azepane IUPAC Name: 1-(5-methyl-3-thiophen-2-yl-1,2,4-triazol-1-yl)azepane Traditional Name: 1-[5-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]azepane Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1N2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CC1=NC(=NN1N2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C13H18N4S/c1-11-14-13(12-7-6-10-18-12)15-17(11)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3