5-(3,5-dimethoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(3,5-dimethoxyphenyl)-3-(1-naphthylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(3,5-dimethoxyphenyl)-3-(1-naphthalenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(3,5-dimethoxyphenyl)-3-(1-naphthylmethylthio)-1H-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C21H19N3O2S/c1-25-17-10-16(11-18(12-17)26-2)20-22-21(24-23-20)27-13-15-8-5-7-14-6-3-4-9-19(14)15/h3-12H,13H2,1-2H3,(H,22,23,24)