2-methylsulfonyl-N-[(4-phenylmethoxyphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine

Systemtic Name: 2-methylsulfonyl-N-[(4-phenylmethoxyphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Openeye Name: N-[(4-benzyloxyphenyl)methyl]-2-methylsulfonyl-5-(2-thienyl)-1,2,4-triazol-3-amine CAS Name: 2-methylsulfonyl-N-[(4-phenylmethoxyphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine IUPAC Name: 2-methylsulfonyl-N-[(4-phenylmethoxyphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Traditional Name: (4-benzoxybenzyl)-[2-mesyl-5-(2-thienyl)-1,2,4-triazol-3-yl]amine Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S2/c1-30(26,27)25-21(23-20(24-25)19-8-5-13-29-19)22-14-16-9-11-18(12-10-16)28-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,22,23,24)