3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-phenyl-1H-1,2,4-triazole Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NNC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3OS/c1-14-11-15(2)13-17(12-14)23-9-6-10-24-19-20-18(21-22-19)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,21,22)