3,5-bis[(4-bromophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[(4-bromophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[(4-bromophenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[(4-bromophenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(4-bromophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[(4-bromobenzyl)thio]isothiazole-4-carbonitrile Formula: C18H12Br2N2S3 MolecularWeight: 512.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC3=CC=C(C=C3)Br)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC3=CC=C(C=C3)Br)C#N)Br

InChI

InChI=1S/C18H12Br2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2