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

Systemtic Name: phenyl 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O4S2/c1-12-14(8-9-22-12)15-17-18-16(19(15)2)24-10-11-25(20,21)23-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3