4-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CN=C(C=C4)Cl

InChI

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