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

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-chloro-5-ethoxy-benzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C23H22ClN5O2S MolecularWeight: 467.97108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O2S/c1-2-30-20-13-17(12-19(24)21(20)31-15-16-6-4-3-5-7-16)14-26-29-22(27-28-23(29)32)18-8-10-25-11-9-18/h3-13,26H,2,14-15H2,1H3,(H,28,32)