2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-(4-benzyloxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-methoxyphenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-(4-benzoxyphenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethylamine Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)CCN

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)CCN

InChI

InChI=1S/C25H26N4O2S/c1-30-23-9-5-8-20(16-23)18-32-25-28-27-24(14-15-26)29(25)21-10-12-22(13-11-21)31-17-19-6-3-2-4-7-19/h2-13,16H,14-15,17-18,26H2,1H3