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

Systemtic Name: 3-(4-ethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-ethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-ethoxyphenyl)-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-ethoxyphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-phenoxybenzyl)thio]-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-2-28-19-14-12-17(13-15-19)22-25-26-23(27(22)24)30-16-18-8-6-7-11-21(18)29-20-9-4-3-5-10-20/h3-15H,2,16,24H2,1H3