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

Systemtic Name: 4-[(3-methoxy-2-phenylmethoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(2-benzyloxy-3-methoxy-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(2-benzoxy-3-methoxy-benzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-28-19-9-5-8-18(20(19)29-15-16-6-3-2-4-7-16)14-24-27-21(25-26-22(27)30)17-10-12-23-13-11-17/h2-13,24H,14-15H2,1H3,(H,26,30)