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

Systemtic Name: (2E)-5-bromanyl-3-phenyl-2-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (2E)-2-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-bromo-3-phenyl-indole CAS Name: (2E)-5-bromo-3-phenyl-2-[4-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (2E)-2-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-bromo-3-phenylindole Traditional Name: (2E)-2-[3-(benzylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-bromo-3-phenyl-indole Formula: C29H21BrN4S MolecularWeight: 537.47284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C3C(=C4C=C(C=CC4=N3)Br)C5=CC=CC=C5)N2C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN/C(=C/3\C(=C4C=C(C=CC4=N3)Br)C5=CC=CC=C5)/N2C6=CC=CC=C6

InChI

InChI=1S/C29H21BrN4S/c30-22-16-17-25-24(18-22)26(21-12-6-2-7-13-21)27(31-25)28-32-33-29(34(28)23-14-8-3-9-15-23)35-19-20-10-4-1-5-11-20/h1-18,32H,19H2/b28-27-