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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NN=C(S2)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NN=C(S2)N

InChI

InChI=1S/C12H11ClN4O3S2/c1-5(21-12-17-16-11(14)22-12)9(18)15-8-4-6(10(19)20)2-3-7(8)13/h2-5H,1H3,(H2,14,16)(H,15,18)(H,19,20)