2-[5-[(3-methoxyphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-methoxyphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-[(3-methoxyphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-methoxyphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(3-methoxyphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-(5-m-anisylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)ethylamine Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CS(=O)(=O)C2=NN=C(N2CCC3=CC=CC=C3)CCN

Isomeric SMILES

COC1=CC=CC(=C1)CS(=O)(=O)C2=NN=C(N2CCC3=CC=CC=C3)CCN

InChI

InChI=1S/C20H24N4O3S/c1-27-18-9-5-8-17(14-18)15-28(25,26)20-23-22-19(10-12-21)24(20)13-11-16-6-3-2-4-7-16/h2-9,14H,10-13,15,21H2,1H3