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

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-naphthalen-1-yl-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-(1-naphthyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-(1-naphthalenyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-naphthalen-1-ylpropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-(1-naphthyl)propionitrile Formula: C23H17N5OS MolecularWeight: 411.47898

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CC=CC3=CC=CC=C32)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CC=CC3=CC=CC=C32)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H17N5OS/c24-13-17(23-26-18-10-3-4-11-19(18)30-23)22(28-20(25)12-21(29)27-28)16-9-5-7-14-6-1-2-8-15(14)16/h1-11,17,22,25H,12H2,(H,27,29)