2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)pyridine-3-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)pyridine-3-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N,N-bis(cyanomethyl)nicotinamide Formula: C17H11N5OS MolecularWeight: 333.36714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C17H11N5OS/c18-7-10-22(11-8-19)17(23)12-4-3-9-20-15(12)16-21-13-5-1-2-6-14(13)24-16/h1-6,9H,10-11H2