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

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2-furyl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-furanyl)-3-(5-imino-3-oxo-1-pyrazolidinyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2-furyl)-3-(5-imino-3-keto-pyrazolidin-1-yl)propionitrile Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CC=CO2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CC=CO2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5O2S/c18-9-10(17-20-11-4-1-2-6-13(11)25-17)16(12-5-3-7-24-12)22-14(19)8-15(23)21-22/h1-7,10,16,19H,8H2,(H,21,23)