(2E)-5-bromanyl-2-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenyl-indole

Systemtic Name: (2E)-5-bromanyl-2-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenyl-indole Openeye Name: (2E)-5-bromo-2-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenyl-indole CAS Name: (2E)-5-bromo-2-[3-(methylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-phenylindole IUPAC Name: (2E)-5-bromo-2-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenylindole Traditional Name: (2E)-5-bromo-2-[3-(methylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-phenyl-indole Formula: C23H17BrN4S MolecularWeight: 461.37688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C2C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)N1C5=CC=CC=C5

Isomeric SMILES

CSC1=NN/C(=C/2\C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)/N1C5=CC=CC=C5

InChI

InChI=1S/C23H17BrN4S/c1-29-23-27-26-22(28(23)17-10-6-3-7-11-17)21-20(15-8-4-2-5-9-15)18-14-16(24)12-13-19(18)25-21/h2-14,26H,1H3/b22-21-