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

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[[3-(4-methylpiperazin-1-yl)phenyl]amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)anilino]pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(4-methyl-1-piperazinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)anilino]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazino)anilino]pyrazole-4-carbonitrile Formula: C22H22N8S MolecularWeight: 430.52868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N8S/c1-28-9-11-29(12-10-28)16-6-4-5-15(13-16)25-21-17(14-23)20(24)30(27-21)22-26-18-7-2-3-8-19(18)31-22/h2-8,13H,9-12,24H2,1H3,(H,25,27)