2-(azocan-1-ium-1-ylmethyl)-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Formula: C20H28ClN4OS+ MolecularWeight: 407.98052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4

InChI

InChI=1S/C20H27ClN4OS/c21-17-8-4-5-9-18(17)26-14-19-22-24(20(27)25(19)16-10-11-16)15-23-12-6-2-1-3-7-13-23/h4-5,8-9,16H,1-3,6-7,10-15H2/p+1