4-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNN3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C22H20ClN5O2S/c1-29-19-4-2-3-17(20(19)30-14-15-5-7-18(23)8-6-15)13-25-28-21(26-27-22(28)31)16-9-11-24-12-10-16/h2-12,25H,13-14H2,1H3,(H,27,31)