[(5Z)-5-[(4-bromophenyl)sulfanylmethylidene]-4,4-dimethyl-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate

Systemtic Name: [(5Z)-5-[(4-bromophenyl)sulfanylmethylidene]-4,4-dimethyl-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate Openeye Name: [(5Z)-5-[(4-bromophenyl)sulfanylmethylene]-4,4-dimethyl-thiazol-2-yl]sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [[(5Z)-5-[[(4-bromophenyl)thio]methylidene]-4,4-dimethyl-2-thiazolyl]thio]methyl ester IUPAC Name: [(5Z)-5-[(4-bromophenyl)sulfanylmethylidene]-4,4-dimethyl-1,3-thiazol-2-yl]sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [[(5Z)-5-[[(4-bromophenyl)thio]methylene]-4,4-dimethyl-2-thiazolin-2-yl]thio]methyl ester Formula: C14H13BrN2S4 MolecularWeight: 417.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CSC2=CC=C(C=C2)Br)SC(=N1)SCSC#N)C

Isomeric SMILES

CC1(/C(=C/SC2=CC=C(C=C2)Br)/SC(=N1)SCSC#N)C

InChI

InChI=1S/C14H13BrN2S4/c1-14(2)12(21-13(17-14)20-9-18-8-16)7-19-11-5-3-10(15)4-6-11/h3-7H,9H2,1-2H3/b12-7-