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

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-phenyl-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-phenyl-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-phenylpropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-phenylpropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-phenyl-propionitrile Formula: C19H15N5OS MolecularWeight: 361.4203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5OS/c20-11-13(19-22-14-8-4-5-9-15(14)26-19)18(12-6-2-1-3-7-12)24-16(21)10-17(25)23-24/h1-9,13,18,21H,10H2,(H,23,25)