7-(4-bromophenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile

Systemtic Name: 7-(4-bromophenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile Openeye Name: 7-(4-bromophenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile CAS Name: 7-(4-bromophenyl)-5-(methylthio)-2-phenyl-1,3-benzothiazole-4-carbonitrile IUPAC Name: 7-(4-bromophenyl)-5-methylsulfanyl-2-phenyl-1,3-benzothiazole-4-carbonitrile Traditional Name: 7-(4-bromophenyl)-5-(methylthio)-2-phenyl-1,3-benzothiazole-4-carbonitrile Formula: C21H13BrN2S2 MolecularWeight: 437.37532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Br)SC(=N2)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Br)SC(=N2)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H13BrN2S2/c1-25-18-11-16(13-7-9-15(22)10-8-13)20-19(17(18)12-23)24-21(26-20)14-5-3-2-4-6-14/h2-11H,1H3