N-[(3,4-dimethoxyphenyl)methyl]-2-(phenylsulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(phenylsulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-besyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-veratryl-amine Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4)OC

InChI

InChI=1S/C22H21N5O4S/c1-30-19-11-10-16(13-20(19)31-2)14-24-22-25-21(17-7-6-12-23-15-17)26-27(22)32(28,29)18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H,24,25,26)