[5-[(E)-but-2-enyl]sulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl] ethanesulfonate

Systemtic Name: [5-[(E)-but-2-enyl]sulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl] ethanesulfonate Openeye Name: [5-[(E)-but-2-enyl]sulfanyl-1-isopropyl-1,2,4-triazol-3-yl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-propan-2-yl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-[(E)-but-2-enyl]sulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(E)-but-2-enyl]thio]-1-isopropyl-1,2,4-triazol-3-yl] ester Formula: C11H19N3O3S2 MolecularWeight: 305.41686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=NN(C(=N1)SCC=CC)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=NN(C(=N1)SC/C=C/C)C(C)C

InChI

InChI=1S/C11H19N3O3S2/c1-5-7-8-18-11-12-10(13-14(11)9(3)4)17-19(15,16)6-2/h5,7,9H,6,8H2,1-4H3/b7-5+