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

Systemtic Name: 4-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-ethoxy-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-ethoxy-benzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-2-29-21-14-18(8-9-20(21)30-16-17-6-4-3-5-7-17)15-25-28-22(26-27-23(28)31)19-10-12-24-13-11-19/h3-14,25H,2,15-16H2,1H3,(H,27,31)