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

Systemtic Name: (2E)-5-bromanyl-3-phenyl-2-(4-phenyl-3-propylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole Openeye Name: (2E)-5-bromo-3-phenyl-2-(4-phenyl-3-propylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole CAS Name: (2E)-5-bromo-3-phenyl-2-[4-phenyl-3-(propylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (2E)-5-bromo-3-phenyl-2-(4-phenyl-3-propylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole Traditional Name: (2E)-5-bromo-3-phenyl-2-[4-phenyl-3-(propylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C25H21BrN4S MolecularWeight: 489.43004

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=C2C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)N1C5=CC=CC=C5

Isomeric SMILES

CCCSC1=NN/C(=C/2\C(=C3C=C(C=CC3=N2)Br)C4=CC=CC=C4)/N1C5=CC=CC=C5

InChI

InChI=1S/C25H21BrN4S/c1-2-15-31-25-29-28-24(30(25)19-11-7-4-8-12-19)23-22(17-9-5-3-6-10-17)20-16-18(26)13-14-21(20)27-23/h3-14,16,28H,2,15H2,1H3/b24-23-