4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C17H15N3O3S/c1-2-9-20-15(14-4-3-10-23-14)18-19-17(20)24-11-12-5-7-13(8-6-12)16(21)22/h2-8,10H,1,9,11H2,(H,21,22)