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

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-pyridin-3-yl-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-(3-pyridyl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-(3-pyridinyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-pyridin-3-ylpropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-(3-pyridyl)propionitrile Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CN=CC=C2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CN=CC=C2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N6OS/c19-9-12(18-22-13-5-1-2-6-14(13)26-18)17(11-4-3-7-21-10-11)24-15(20)8-16(25)23-24/h1-7,10,12,17,20H,8H2,(H,23,25)