4-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(2-methoxyphenyl)methyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-o-anisyl-5-propyl-1,2,4-triazole-3-thiolate Formula: C13H16N3OS- MolecularWeight: 262.35064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CC=C2OC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CC=C2OC)[S-]

InChI

InChI=1S/C13H17N3OS/c1-3-6-12-14-15-13(18)16(12)9-10-7-4-5-8-11(10)17-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,18)/p-1