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

Systemtic Name: 2-[[3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(1-methylsulfonyl-4-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzonitrile IUPAC Name: 2-[[3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzonitrile Traditional Name: 2-[[5-keto-3-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]methyl]benzonitrile Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=CC=C4C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N5O3S2/c1-30(27,28)23-10-8-15(9-11-23)19-22-24(14-17-6-3-2-5-16(17)13-21)20(26)25(19)18-7-4-12-29-18/h2-7,12,15H,8-11,14H2,1H3