4-(furan-3-yl)-3-octylsulfanyl-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(furan-3-yl)-3-octylsulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-(3-furyl)-3-octylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(3-furanyl)-3-(octylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-3-yl)-3-octylsulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 4-(3-furyl)-3-(octylthio)-5-phenyl-1,2,4-triazole Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1C2=COC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1C2=COC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-2-3-4-5-6-10-15-25-20-22-21-19(17-11-8-7-9-12-17)23(20)18-13-14-24-16-18/h7-9,11-14,16H,2-6,10,15H2,1H3