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

Systemtic Name: methyl (2R)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)S[C@H](C)C(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-11-14(9-10-23-11)15-18-19-17(24-12(2)16(21)22-3)20(15)13-7-5-4-6-8-13/h4-10,12H,1-3H3/t12-/m1/s1