3-methyl-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-methyl-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-methyl-4-phenyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-methyl-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-methyl-4-phenyl-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC=C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC=C

InChI

InChI=1S/C12H13N3S/c1-3-9-16-12-14-13-10(2)15(12)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3