4-[2-(cyanomethyl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(cyanomethyl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(cyanomethyl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(cyanomethyl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(cyanomethyl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(cyanomethyl)thiazol-4-yl]benzonitrile Formula: C12H7N3S MolecularWeight: 225.26908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CSC(=N2)CC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CSC(=N2)CC#N

InChI

InChI=1S/C12H7N3S/c13-6-5-12-15-11(8-16-12)10-3-1-9(7-14)2-4-10/h1-4,8H,5H2