(2E)-2-(3-ethylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenyl-indole

Systemtic Name: (2E)-2-(3-ethylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenyl-indole Openeye Name: (2E)-2-(3-ethylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenyl-indole CAS Name: (2E)-2-[3-(ethylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-methoxy-3-phenylindole IUPAC Name: (2E)-2-(3-ethylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenylindole Traditional Name: (2E)-2-[3-(ethylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-methoxy-3-phenyl-indole Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C2C(=C3C=C(C=CC3=N2)OC)C4=CC=CC=C4)N1C5=CC=CC=C5

Isomeric SMILES

CCSC1=NN/C(=C/2\C(=C3C=C(C=CC3=N2)OC)C4=CC=CC=C4)/N1C5=CC=CC=C5

InChI

InChI=1S/C25H22N4OS/c1-3-31-25-28-27-24(29(25)18-12-8-5-9-13-18)23-22(17-10-6-4-7-11-17)20-16-19(30-2)14-15-21(20)26-23/h4-16,27H,3H2,1-2H3/b24-23-