2-[5-[(3-methylphenyl)methylsulfonyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-methylphenyl)methylsulfonyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-(4-benzyloxyphenyl)-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-methylphenyl)methylsulfonyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-methylphenyl)methylsulfonyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-(4-benzoxyphenyl)-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]ethylamine Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)CCN

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)CCN

InChI

InChI=1S/C25H26N4O3S/c1-19-6-5-9-21(16-19)18-33(30,31)25-28-27-24(14-15-26)29(25)22-10-12-23(13-11-22)32-17-20-7-3-2-4-8-20/h2-13,16H,14-15,17-18,26H2,1H3