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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H12N4O3S2/c1-6-2-3-7(10(18)19)4-8(6)14-9(17)5-20-12-16-15-11(13)21-12/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)(H,18,19)