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

Systemtic Name: 4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-benzyloxyphenyl)methyleneamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-benzoxybenzylidene)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C21H17N5OS/c28-21-25-24-20(18-9-11-22-12-10-18)26(21)23-14-17-7-4-8-19(13-17)27-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)/b23-14+