3-[[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Openeye Name: 3-[(3-tetrahydrofuran-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid CAS Name: 3-[[3-(2-oxolanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid IUPAC Name: 3-[[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Traditional Name: 3-[[3-(tetrahydrofuryl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-13(19)10-4-1-3-9(7-10)8-17-12(15-16-14(17)21)11-5-2-6-20-11/h1,3-4,7,11H,2,5-6,8H2,(H,16,21)(H,18,19)