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

Systemtic Name: 2-(azocan-1-ylmethyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ylmethyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-azocanylmethyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ylmethyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ylmethyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thione Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)CN3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)CN3CCCCCCC3

InChI

InChI=1S/C18H26N4S/c1-15-8-9-16(2)17(12-15)21-13-19-22(18(21)23)14-20-10-6-4-3-5-7-11-20/h8-9,12-13H,3-7,10-11,14H2,1-2H3