4-[(4-ethoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(4-ethoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(4-ethoxyphenyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(4-ethoxyphenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(4-ethoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-ethoxybenzyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C16H15N4OS- MolecularWeight: 311.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CN=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-2-21-14-7-5-12(6-8-14)11-20-15(18-19-16(20)22)13-4-3-9-17-10-13/h3-10H,2,11H2,1H3,(H,19,22)/p-1