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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C(=NS2)SCC3=CC=CC=C3Br)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C(=NS2)SCC3=CC=CC=C3Br)C#N)Br

InChI

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