3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-phenyl-amino]propanenitrile

Systemtic Name: 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[4-(chloromethyl)thiazol-2-yl]anilino)propanenitrile CAS Name: 3-(N-[4-(chloromethyl)-2-thiazolyl]anilino)propanenitrile IUPAC Name: 3-(N-[4-(chloromethyl)-1,3-thiazol-2-yl]anilino)propanenitrile Traditional Name: 3-(N-[4-(chloromethyl)thiazol-2-yl]anilino)propionitrile Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=NC(=CS2)CCl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=NC(=CS2)CCl

InChI

InChI=1S/C13H12ClN3S/c14-9-11-10-18-13(16-11)17(8-4-7-15)12-5-2-1-3-6-12/h1-3,5-6,10H,4,8-9H2