5-(5-chloranyl-2-methoxy-phenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4OS/c1-27-19-8-7-17(22)13-18(19)20-23-21(28)26(24-20)14-25-11-9-16(10-12-25)15-5-3-2-4-6-15/h2-9,13H,10-12,14H2,1H3,(H,23,24,28)