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

Systemtic Name: 4-[[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzonitrile IUPAC Name: 4-[[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-keto-3-(1-mesyl-3-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)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H21N5O3S2/c1-30(27,28)23-10-2-4-17(14-23)19-22-24(13-16-8-6-15(12-21)7-9-16)20(26)25(19)18-5-3-11-29-18/h3,5-9,11,17H,2,4,10,13-14H2,1H3