4-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NN=C(S2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NN=C(S2)N)C(=O)O

InChI

InChI=1S/C12H12N4O3S2/c13-11-15-16-12(21-11)20-6-9(17)14-5-7-1-3-8(4-2-7)10(18)19/h1-4H,5-6H2,(H2,13,15)(H,14,17)(H,18,19)