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

Systemtic Name: 5-[3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]-2-chloro-benzoic acid Formula: C12H11ClN4O3S2 MolecularWeight: 358.82374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSC2=NN=C(S2)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSC2=NN=C(S2)N)C(=O)O)Cl

InChI

InChI=1S/C12H11ClN4O3S2/c13-8-2-1-6(5-7(8)10(19)20)15-9(18)3-4-21-12-17-16-11(14)22-12/h1-2,5H,3-4H2,(H2,14,16)(H,15,18)(H,19,20)