3-(phenylmethylsulfanyl)-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzenesulfonylmethyl)-5-benzylsulfanyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-(besylmethyl)-1,2,4-triazole Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S2/c1-2-13-22-18(15-26(23,24)17-11-7-4-8-12-17)20-21-19(22)25-14-16-9-5-3-6-10-16/h2-12H,1,13-15H2