5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=C(C(=C2)OC)OC)OC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=C(C(=C2)OC)OC)OC)[S-]

InChI

InChI=1S/C14H19N3O3S/c1-5-6-12-15-16-14(21)17(12)9-7-10(18-2)13(20-4)11(8-9)19-3/h7-8H,5-6H2,1-4H3,(H,16,21)/p-1