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

Systemtic Name: 2-(azocan-1-ylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocanylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4OS/c1-20-17(15-8-10-16(23-2)11-9-15)19-22(18(20)24)14-21-12-6-4-3-5-7-13-21/h8-11H,3-7,12-14H2,1-2H3