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

Systemtic Name: 4-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxyphenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxybenzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5OS/c28-21-25-24-20(18-10-12-22-13-11-18)26(21)23-14-16-6-8-19(9-7-16)27-15-17-4-2-1-3-5-17/h1-13,23H,14-15H2,(H,25,28)