2,3-dimethyl-5-(5-phenethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole

Systemtic Name: 2,3-dimethyl-5-(5-phenethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole Openeye Name: 2,3-dimethyl-5-(5-phenethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole CAS Name: 2,3-dimethyl-5-[5-(phenethylthio)-4-phenyl-1,2,4-triazol-3-yl]-1H-indole IUPAC Name: 2,3-dimethyl-5-(5-phenethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole Traditional Name: 2,3-dimethyl-5-[5-(phenethylthio)-4-phenyl-1,2,4-triazol-3-yl]-1H-indole Formula: C26H24N4S MolecularWeight: 424.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC5=CC=CC=C5)C

InChI

InChI=1S/C26H24N4S/c1-18-19(2)27-24-14-13-21(17-23(18)24)25-28-29-26(30(25)22-11-7-4-8-12-22)31-16-15-20-9-5-3-6-10-20/h3-14,17,27H,15-16H2,1-2H3