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

Systemtic Name: (2E)-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methyl-3-phenyl-indole Openeye Name: (2E)-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methyl-3-phenyl-indole CAS Name: (2E)-2-[3-(butylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-methyl-3-phenylindole IUPAC Name: (2E)-2-(3-butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methyl-3-phenylindole Traditional Name: (2E)-2-[3-(butylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-methyl-3-phenyl-indole Formula: C27H26N4S MolecularWeight: 438.58714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4S/c1-3-4-17-32-27-30-29-26(31(27)21-13-9-6-10-14-21)25-24(20-11-7-5-8-12-20)22-18-19(2)15-16-23(22)28-25/h5-16,18,29H,3-4,17H2,1-2H3/b26-25-