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

Systemtic Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-pentoxyphenyl)methyleneamino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CN=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CN=CC=C3

InChI

InChI=1S/C19H21N5OS/c1-2-3-4-12-25-17-9-7-15(8-10-17)13-21-24-18(22-23-19(24)26)16-6-5-11-20-14-16/h5-11,13-14H,2-4,12H2,1H3,(H,23,26)/b21-13+