3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-isothiazole-4-carbonitrile CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-methyl-4-isothiazolecarbonitrile IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-methyl-isothiazole-4-carbonitrile Formula: C13H9BrN2OS2 MolecularWeight: 353.25736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C13H9BrN2OS2/c1-8-11(6-15)13(16-19-8)18-7-12(17)9-2-4-10(14)5-3-9/h2-5H,7H2,1H3