5-azanyl-1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[(3-morpholin-4-ylphenyl)amino]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[(3-morpholin-4-ylphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-morpholinoanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(4-morpholinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-morpholin-4-ylanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-morpholinoanilino)pyrazole-4-carbonitrile Formula: C21H18ClN7OS MolecularWeight: 451.93192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1COCCN1C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C21H18ClN7OS/c22-13-4-5-17-18(10-13)31-21(26-17)29-19(24)16(12-23)20(27-29)25-14-2-1-3-15(11-14)28-6-8-30-9-7-28/h1-5,10-11H,6-9,24H2,(H,25,27)