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

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(2-methylpyrimidin-4-yl)anilino]pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(2-methyl-4-pyrimidinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(2-methylpyrimidin-4-yl)anilino]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(2-methylpyrimidin-4-yl)anilino]pyrazole-4-carbonitrile Formula: C22H16N8S MolecularWeight: 424.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N8S/c1-13-25-10-9-17(26-13)14-5-4-6-15(11-14)27-21-16(12-23)20(24)30(29-21)22-28-18-7-2-3-8-19(18)31-22/h2-11H,24H2,1H3,(H,27,29)