2-oxidanyl-4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Openeye Name: 2-hydroxy-4-[(5-pyrazin-2-yl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid CAS Name: 2-hydroxy-4-[[5-(2-pyrazinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid IUPAC Name: 2-hydroxy-4-[(5-pyrazin-2-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Traditional Name: 2-hydroxy-4-[(5-pyrazin-2-yl-2-thioxo-1,3,4-oxadiazol-3-yl)methylamino]benzoic acid Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCN2C(=S)OC(=N2)C3=NC=CN=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NCN2C(=S)OC(=N2)C3=NC=CN=C3)O)C(=O)O

InChI

InChI=1S/C14H11N5O4S/c20-11-5-8(1-2-9(11)13(21)22)17-7-19-14(24)23-12(18-19)10-6-15-3-4-16-10/h1-6,17,20H,7H2,(H,21,22)