2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-13-9-18(26)24-21(15(13)10-22)28-12-19(27)25-8-4-5-14(11-25)20-23-16-6-2-3-7-17(16)29-20/h2-3,6-7,9,14H,4-5,8,11-12H2,1H3,(H,24,26)/t14-/m1/s1