2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-amine Openeye Name: N-benzyl-2-(p-tolylsulfonyl)-5-(3-pyridyl)-1,2,4-triazol-3-amine CAS Name: 2-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine Traditional Name: benzyl-[5-(3-pyridyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C21H19N5O2S MolecularWeight: 405.47286

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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=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-16-9-11-19(12-10-16)29(27,28)26-21(23-14-17-6-3-2-4-7-17)24-20(25-26)18-8-5-13-22-15-18/h2-13,15H,14H2,1H3,(H,23,24,25)