5-methylsulfanyl-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile

Systemtic Name: 5-methylsulfanyl-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile Openeye Name: 5-methylsulfanyl-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile CAS Name: 5-(methylthio)-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile IUPAC Name: 5-methylsulfanyl-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile Traditional Name: 5-(methylthio)-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile Formula: C21H14N2S2 MolecularWeight: 358.47926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2S2/c1-24-18-12-16(14-8-4-2-5-9-14)20-19(17(18)13-22)23-21(25-20)15-10-6-3-7-11-15/h2-12H,1H3