2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H24N4O2S/c1-14-15(2)18(12-24)23(25-16(14)3)30-13-21(28)27-10-8-17(9-11-27)22-26-19-6-4-5-7-20(19)29-22/h4-7,17H,8-11,13H2,1-3H3