3-(2,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dimethoxyphenyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)N4C=CC=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C20H20N6O2S/c1-27-16-8-9-17(18(12-16)28-2)19-23-24-20(26(19)21)29-13-14-4-6-15(7-5-14)25-11-3-10-22-25/h3-12H,13,21H2,1-2H3