3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C16H14BrN3OS/c1-2-9-20-15(14-4-3-10-21-14)18-19-16(20)22-11-12-5-7-13(17)8-6-12/h2-8,10H,1,9,11H2