phenyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S2/c1-16-19(12-13-27-16)20-22-23-21(24(20)17-8-4-2-5-9-17)29-14-15-30(25,26)28-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3