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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: N-[(2-methoxyphenyl)methyl]-2-(p-tolylsulfonyl)-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: o-anisyl-[5-(3-pyridyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4OC

InChI

InChI=1S/C22H21N5O3S/c1-16-9-11-19(12-10-16)31(28,29)27-22(24-15-17-6-3-4-8-20(17)30-2)25-21(26-27)18-7-5-13-23-14-18/h3-14H,15H2,1-2H3,(H,24,25,26)