thiophen-2-yl 2-(azepan-1-ylmethyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: thiophen-2-yl 2-(azepan-1-ylmethyl)-1,2,4-triazole-3-carboxylate Openeye Name: 2-thienyl 2-(azepan-1-ylmethyl)-1,2,4-triazole-3-carboxylate CAS Name: 2-(1-azepanylmethyl)-1,2,4-triazole-3-carboxylic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl 2-(azepan-1-ylmethyl)-1,2,4-triazole-3-carboxylate Traditional Name: 2-(azepan-1-ylmethyl)-1,2,4-triazole-3-carboxylic acid 2-thienyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C(=NC=N2)C(=O)OC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)CN2C(=NC=N2)C(=O)OC3=CC=CS3

InChI

InChI=1S/C14H18N4O2S/c19-14(20-12-6-5-9-21-12)13-15-10-16-18(13)11-17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8,11H2