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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[(4-phenylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

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