2-(azepan-1-ium-1-ylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azepan-1-iumylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4S/c1-2-20-16(15-10-6-5-7-11-15)18-21(17(20)22)14-19-12-8-3-4-9-13-19/h5-7,10-11H,2-4,8-9,12-14H2,1H3/p+1