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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCCCCCC3

InChI

InChI=1S/C18H26N4S/c1-15-10-6-7-11-16(15)17-19-22(18(23)20(17)2)14-21-12-8-4-3-5-9-13-21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3