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

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-2-[(3-methylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-2-methyl-phenyl)-2-[(3-methyl-1-piperidyl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-2-methylphenyl)-2-[(3-methyl-1-piperidinyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-2-methylphenyl)-2-[(3-methylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-2-methyl-phenyl)-2-[(3-methylpiperidino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24ClN5S MolecularWeight: 413.96676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5S/c1-15-5-4-12-25(13-15)14-26-21(28)27(19-7-3-6-18(22)16(19)2)20(24-26)17-8-10-23-11-9-17/h3,6-11,15H,4-5,12-14H2,1-2H3