5-[(4-chloranylphenoxy)methyl]-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-chlorophenoxy)methyl]-2-[(3-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-chlorophenoxy)methyl]-2-[(3-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-chlorophenoxy)methyl]-2-[(3-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-chlorophenoxy)methyl]-2-[(3-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H25ClN4OS MolecularWeight: 428.9781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4OS/c1-17-6-5-13-25(14-17)16-26-22(29)27(19-7-3-2-4-8-19)21(24-26)15-28-20-11-9-18(23)10-12-20/h2-4,7-12,17H,5-6,13-16H2,1H3