3-(phenylmethylsulfanyl)-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-2-17-28-24(26-27-25(28)30-19-20-11-5-3-6-12-20)18-29-23-16-10-9-15-22(23)21-13-7-4-8-14-21/h2-16H,1,17-19H2