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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(phenylsulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: 2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: [2-besyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]-p-anisyl-amine Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S/c1-29-18-11-9-16(10-12-18)14-23-21-24-20(17-6-5-13-22-15-17)25-26(21)30(27,28)19-7-3-2-4-8-19/h2-13,15H,14H2,1H3,(H,23,24,25)