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

Systemtic Name: 5-(azepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-triazole-1-carboxamide Openeye Name: 5-(azepan-1-ylmethyl)-3-(2-thienyl)-1,2,4-triazole-1-carboxamide CAS Name: 5-(1-azepanylmethyl)-3-thiophen-2-yl-1,2,4-triazole-1-carboxamide IUPAC Name: 5-(azepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-triazole-1-carboxamide Traditional Name: 5-(azepan-1-ylmethyl)-3-(2-thienyl)-1,2,4-triazole-1-carboxamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC(=NN2C(=O)N)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)CC2=NC(=NN2C(=O)N)C3=CC=CS3

InChI

InChI=1S/C14H19N5OS/c15-14(20)19-12(10-18-7-3-1-2-4-8-18)16-13(17-19)11-6-5-9-21-11/h5-6,9H,1-4,7-8,10H2,(H2,15,20)