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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-2-[(3-methyl-1-piperidyl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methylphenyl)-2-[(3-methyl-1-piperidinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-2-[(3-methylpiperidino)methyl]-1,2,4-triazole-3-thione Formula: C16H21ClN4S MolecularWeight: 336.88274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4S/c1-12-4-3-7-19(9-12)11-21-16(22)20(10-18-21)14-6-5-13(2)15(17)8-14/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3