3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,4-dimethylphenyl)methylthio]-5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2,4-dimethylbenzyl)thio]-5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazole Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C28H25N3OS/c1-20-15-16-23(21(2)17-20)19-33-28-30-29-27(31(28)24-11-4-3-5-12-24)18-32-26-14-8-10-22-9-6-7-13-25(22)26/h3-17H,18-19H2,1-2H3