4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C18H18N3OS- MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H19N3OS/c1-2-6-14-9-11-16(12-10-14)22-13-17-19-20-18(23)21(17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3,(H,20,23)/p-1