2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H25N5OS2/c1-15-16(2)18(12-24)23(25-17(15)3)30-14-22(29)28-10-8-27(9-11-28)13-21-26-19-6-4-5-7-20(19)31-21/h4-7H,8-11,13-14H2,1-3H3