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

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-morpholin-4-ylphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-morpholinoanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(4-morpholinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-morpholin-4-ylanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-morpholinoanilino)pyrazole-4-carbonitrile Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N7OS/c22-13-16-19(23)28(21-25-17-6-1-2-7-18(17)30-21)26-20(16)24-14-4-3-5-15(12-14)27-8-10-29-11-9-27/h1-7,12H,8-11,23H2,(H,24,26)