2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-propylphenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-propylphenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-propylphenyl)thiazol-2-yl]acetonitrile Formula: C14H14N2S MolecularWeight: 242.33936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=N2)CC#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=N2)CC#N

InChI

InChI=1S/C14H14N2S/c1-2-3-11-4-6-12(7-5-11)13-10-17-14(16-13)8-9-15/h4-7,10H,2-3,8H2,1H3