3-(3,4-dimethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-22-14-9-8-13(10-15(14)23-2)16-19-20-17(21(16)18)24-11-12-6-4-3-5-7-12/h3-10H,11,18H2,1-2H3