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

Systemtic Name: 2-[[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile CAS Name: 2-[[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile Traditional Name: 2-[[5-keto-3-(1-mesyl-3-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)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC=C2C#N)C3CCCN(C3)S(=O)(=O)C

InChI

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