3-(4-bromophenyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-bromophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-methyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-bromophenyl)-4-methyl-1,2,4-triazole Formula: C12H12BrN3S MolecularWeight: 310.21278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3S/c1-3-8-17-12-15-14-11(16(12)2)9-4-6-10(13)7-5-9/h3-7H,1,8H2,2H3