3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(3-phenyl-2,1-benzoxazol-5-yl)propanenitrile

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(3-phenyl-2,1-benzoxazol-5-yl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-(3-phenyl-2,1-benzoxazol-5-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-(3-phenyl-2,1-benzoxazol-5-yl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-(3-phenyl-2,1-benzoxazol-5-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-(3-phenylanthranil-5-yl)propionitrile Formula: C26H18N6O2S MolecularWeight: 478.52512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H18N6O2S/c27-14-18(26-29-20-8-4-5-9-21(20)35-26)24(32-22(28)13-23(33)30-32)16-10-11-19-17(12-16)25(34-31-19)15-6-2-1-3-7-15/h1-12,18,24,28H,13H2,(H,30,33)