3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)propanenitrile

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenyl-4-pyrazolyl)-3-(5-imino-3-oxo-1-pyrazolidinyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)propionitrile Formula: C28H21N7OS MolecularWeight: 503.57764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(C#N)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H21N7OS/c29-16-20(28-31-22-13-7-8-14-23(22)37-28)27(35-24(30)15-25(36)32-35)21-17-34(19-11-5-2-6-12-19)33-26(21)18-9-3-1-4-10-18/h1-14,17,20,27,30H,15H2,(H,32,36)