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

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-piperazin-1-ylphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-piperazin-1-ylanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(1-piperazinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-piperazin-1-ylanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-piperazinoanilino)pyrazole-4-carbonitrile Formula: C21H20N8S MolecularWeight: 416.5021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N8S/c22-13-16-19(23)29(21-26-17-6-1-2-7-18(17)30-21)27-20(16)25-14-4-3-5-15(12-14)28-10-8-24-9-11-28/h1-7,12,24H,8-11,23H2,(H,25,27)