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

Systemtic Name: (2E)-5-bromanyl-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenyl-indole Openeye Name: (2E)-5-bromo-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenyl-indole CAS Name: (2E)-5-bromo-2-[3-(butylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-phenylindole IUPAC Name: (2E)-5-bromo-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-phenylindole Traditional Name: (2E)-5-bromo-2-[3-(butylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-phenyl-indole Formula: C26H23BrN4S MolecularWeight: 503.45662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=C2C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)N1C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=NN/C(=C/2\C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)/N1C5=CC=CC=C5

InChI

InChI=1S/C26H23BrN4S/c1-2-3-16-32-26-30-29-25(31(26)20-12-8-5-9-13-20)24-23(18-10-6-4-7-11-18)21-17-19(27)14-15-22(21)28-24/h4-15,17,29H,2-3,16H2,1H3/b25-24-