3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methyl-benzoic acid Openeye Name: 3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methyl-benzoic acid CAS Name: 3-[[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methylbenzoic acid IUPAC Name: 3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-methylbenzoic acid Traditional Name: 3-[[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-methyl-benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)CSC2=NN=C(O2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)CSC2=NN=C(O2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C18H16N2O4S/c1-11-6-7-13(17(21)22)8-14(11)10-25-18-20-19-16(24-18)12-4-3-5-15(9-12)23-2/h3-9H,10H2,1-2H3,(H,21,22)