(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C13H8BrN3O2S MolecularWeight: 350.19052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C13H8BrN3O2S/c1-8-7-20-13(16-8)10(6-15)4-9-2-3-11(14)12(5-9)17(18)19/h2-5,7H,1H3/b10-4+