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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1=CNC2=C1C=C(C=C2)N3C=NN=C3

Isomeric SMILES

CS(=O)(=O)OCCCC1=CNC2=C1C=C(C=C2)N3C=NN=C3

InChI

InChI=1S/C14H16N4O3S/c1-22(19,20)21-6-2-3-11-8-15-14-5-4-12(7-13(11)14)18-9-16-17-10-18/h4-5,7-10,15H,2-3,6H2,1H3