3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C14H9BrN2O2S MolecularWeight: 349.20246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

CC1=CSC(=N1)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

InChI

InChI=1S/C14H9BrN2O2S/c1-8-6-20-14(17-8)10(5-16)2-9-3-12-13(4-11(9)15)19-7-18-12/h2-4,6H,7H2,1H3