5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrazole-4-carbonitrile Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)anilino]-5-amino-1-(1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile CAS Name: 3-[3-(4-acetyl-1-piperazinyl)anilino]-5-amino-1-(1,3-benzothiazol-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)anilino]-5-amino-1-(1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile Traditional Name: 3-[3-(4-acetylpiperazino)anilino]-5-amino-1-(1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile Formula: C23H22N8OS MolecularWeight: 458.53878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N8OS/c1-15(32)29-9-11-30(12-10-29)17-6-4-5-16(13-17)26-22-18(14-24)21(25)31(28-22)23-27-19-7-2-3-8-20(19)33-23/h2-8,13H,9-12,25H2,1H3,(H,26,28)