2-[[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile CAS Name: 2-[[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile Traditional Name: 2-[[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]methyl]benzonitrile Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N5O3S/c1-20-16(13-7-9-21(10-8-13)26(2,24)25)19-22(17(20)23)12-15-6-4-3-5-14(15)11-18/h3-6,13H,7-10,12H2,1-2H3