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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dimethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dimethoxyphenyl)-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dimethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dimethoxyphenyl)-5-[(2-phenoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3OC4=CC=CC=C4)OC

InChI

InChI=1S/C23H22N4O3S/c1-28-18-12-13-19(21(14-18)29-2)22-25-26-23(27(22)24)31-15-16-8-6-7-11-20(16)30-17-9-4-3-5-10-17/h3-14H,15,24H2,1-2H3