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

Systemtic Name: 5-(5-hexylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole Openeye Name: 5-(5-hexylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole CAS Name: 5-[5-(hexylthio)-4-phenyl-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole IUPAC Name: 5-(5-hexylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole Traditional Name: 5-[5-(hexylthio)-4-phenyl-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Formula: C24H28N4S MolecularWeight: 404.57092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

Isomeric SMILES

CCCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

InChI

InChI=1S/C24H28N4S/c1-4-5-6-10-15-29-24-27-26-23(28(24)20-11-8-7-9-12-20)19-13-14-22-21(16-19)17(2)18(3)25-22/h7-9,11-14,16,25H,4-6,10,15H2,1-3H3