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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-azepan-1-iumylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c20-15-17-16-14(12-18-10-6-1-2-7-11-18)19(15)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,20)/p+1