1-(3-cyclopentyloxy-4-methoxy-phenyl)-5-phenethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-5-phenethyl-1,2,4-triazole-3-thiolate Openeye Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-phenethyl-1,2,4-triazole-3-thiolate CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenethyl-1,2,4-triazole-3-thiolate IUPAC Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenethyl-1,2,4-triazole-3-thiolate Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-phenethyl-1,2,4-triazole-3-thiolate Formula: C22H24N3O2S- MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NC(=N2)[S-])CCC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NC(=N2)[S-])CCC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C22H25N3O2S/c1-26-19-13-12-17(15-20(19)27-18-9-5-6-10-18)25-21(23-22(28)24-25)14-11-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3,(H,24,28)/p-1