3-[(4-bromanylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenoxy)methyl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromophenoxy)methyl]-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3OS/c1-2-14-27-22(15-28-20-12-10-19(24)11-13-20)25-26-23(27)29-16-18-8-5-7-17-6-3-4-9-21(17)18/h2-13H,1,14-16H2