3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H23N3OS/c1-16-11-17(2)13-20(12-16)27-14-22-24-25-23(26(22)3)28-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-13H,14-15H2,1-3H3