2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-13-14(2)24-26(21(28)16(13)10-22)12-19(27)25-9-5-6-15(11-25)20-23-17-7-3-4-8-18(17)29-20/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3/t15-/m1/s1