4-[(Z)-(4-pentoxyphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(Z)-(4-pentoxyphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-pentoxyphenyl)methyleneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-(4-pentoxyphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-pentoxyphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-(4-amoxybenzylidene)amino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C21H23N4O2S- MolecularWeight: 395.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-3-7-14-26-19-12-10-17(11-13-19)15-22-25-20(23-24-21(25)28)16-27-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,16H2,1H3,(H,24,28)/p-1/b22-15-