5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenylpiperazin-1-yl)pyrazine-2,3-dicarbonitrile

Systemtic Name: 5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenylpiperazin-1-yl)pyrazine-2,3-dicarbonitrile Openeye Name: 5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenylpiperazin-1-yl)pyrazine-2,3-dicarbonitrile CAS Name: 5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenyl-1-piperazinyl)pyrazine-2,3-dicarbonitrile IUPAC Name: 5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenylpiperazin-1-yl)pyrazine-2,3-dicarbonitrile Traditional Name: 5-[3H-1,3-benzothiazol-2-ylidene(cyano)methyl]-6-(4-phenylpiperazino)pyrazine-2,3-dicarbonitrile Formula: C25H18N8S MolecularWeight: 462.52902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=C(N=C3C(=C4NC5=CC=CC=C5S4)C#N)C#N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=C(N=C3C(=C4NC5=CC=CC=C5S4)C#N)C#N)C#N

InChI

InChI=1S/C25H18N8S/c26-14-18(25-31-19-8-4-5-9-22(19)34-25)23-24(30-21(16-28)20(15-27)29-23)33-12-10-32(11-13-33)17-6-2-1-3-7-17/h1-9,31H,10-13H2