2-(azocan-1-ium-1-ylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-cyclopropyl-4-phenyl-1,2,4-triazole-3-thione Formula: C19H27N4S+ MolecularWeight: 343.50948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H26N4S/c24-19-22(15-21-13-7-2-1-3-8-14-21)20-18(16-11-12-16)23(19)17-9-5-4-6-10-17/h4-6,9-10,16H,1-3,7-8,11-15H2/p+1