5-[2-[(E)-2-(4-bromophenyl)-1-cyano-ethenyl]-1,3-thiazol-4-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[2-[(E)-2-(4-bromophenyl)-1-cyano-ethenyl]-1,3-thiazol-4-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-[2-[(E)-2-(4-bromophenyl)-1-cyano-vinyl]thiazol-4-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-[2-[(E)-2-(4-bromophenyl)-1-cyanoethenyl]-4-thiazolyl]-6-methyl-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 5-[2-[(E)-2-(4-bromophenyl)-1-cyanoethenyl]-1,3-thiazol-4-yl]-6-methyl-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 5-[2-[(E)-2-(4-bromophenyl)-1-cyano-vinyl]thiazol-4-yl]-6-methyl-2-(methylthio)nicotinonitrile Formula: C20H13BrN4S2 MolecularWeight: 453.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC)C#N)C2=CSC(=N2)C(=CC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C(C=C(C(=N1)SC)C#N)C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C20H13BrN4S2/c1-12-17(8-15(10-23)19(24-12)26-2)18-11-27-20(25-18)14(9-22)7-13-3-5-16(21)6-4-13/h3-8,11H,1-2H3/b14-7+