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

Systemtic Name: 2-(azocan-1-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-(1-azocanylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ylmethyl)-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)CN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4S/c21-16-17-15(14-9-5-4-6-10-14)18-20(16)13-19-11-7-2-1-3-8-12-19/h4-6,9-10H,1-3,7-8,11-13H2,(H,17,18,21)