2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]acetonitrile Formula: C12H8N2O2S MolecularWeight: 244.26912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)CC#N

InChI

InChI=1S/C12H8N2O2S/c13-4-3-12-14-9(6-17-12)8-1-2-10-11(5-8)16-7-15-10/h1-2,5-6H,3,7H2