5-(1,3-benzothiazol-2-yl)-3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-(1,3-benzothiazole-2-carbonyl)-5-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(1,3-benzothiazol-2-yl)-3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-(1,3-benzothiazole-2-carbonyl)-5-(1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(1,3-benzothiazole-2-carbonyl)-5-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carbonitrile Formula: C25H13N5OS2 MolecularWeight: 463.53362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C#N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C#N)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H13N5OS2/c26-14-16-21(23(31)25-28-18-11-5-7-13-20(18)33-25)29-30(15-8-2-1-3-9-15)22(16)24-27-17-10-4-6-12-19(17)32-24/h1-13H