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

Systemtic Name: 2,3-dimethyl-5-(5-pentylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole Openeye Name: 2,3-dimethyl-5-(5-pentylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole CAS Name: 2,3-dimethyl-5-[5-(pentylthio)-4-phenyl-1,2,4-triazol-3-yl]-1H-indole IUPAC Name: 2,3-dimethyl-5-(5-pentylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1H-indole Traditional Name: 5-[5-(amylthio)-4-phenyl-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

Isomeric SMILES

CCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

InChI

InChI=1S/C23H26N4S/c1-4-5-9-14-28-23-26-25-22(27(23)19-10-7-6-8-11-19)18-12-13-21-20(15-18)16(2)17(3)24-21/h6-8,10-13,15,24H,4-5,9,14H2,1-3H3