(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]methoxy]pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]methoxy]pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]methoxy]pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)-1-piperazinyl]methyl]phenyl]methoxy]-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]methyl]phenyl]methoxy]pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[4-[[4-(1,2,4-oxadiazol-3-ylmethyl)piperazino]methyl]benzyl]oxypyrimidin-4-yl]acetonitrile Formula: C28H26N8O2S MolecularWeight: 538.62344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(=C4NC5=CC=CC=C5S4)C#N)CC6=NOC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)/C(=C\4/NC5=CC=CC=C5S4)/C#N)CC6=NOC=N6

InChI

InChI=1S/C28H26N8O2S/c29-15-22(27-32-24-3-1-2-4-25(24)39-27)23-9-10-30-28(33-23)37-18-21-7-5-20(6-8-21)16-35-11-13-36(14-12-35)17-26-31-19-38-34-26/h1-10,19,32H,11-14,16-18H2/b27-22-