2-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline

Systemtic Name: 2-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(4-mesylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

InChI

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