2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl methanesulfonate Openeye Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl ester IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CS(=O)(=O)OCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C14H16N4O3S/c1-22(19,20)21-5-4-12-7-16-14-3-2-11(6-13(12)14)8-18-10-15-9-17-18/h2-3,6-7,9-10,16H,4-5,8H2,1H3