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

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-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=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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