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

Systemtic Name: 3,5-bis[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H16N6O4S4 MolecularWeight: 496.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=NN=C(S3)C

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=NN=C(S3)C

InChI

InChI=1S/C17H16N6O4S4/c1-8-20-22-16(30-8)28-6-13(24)18-11-3-10(15(26)27)4-12(5-11)19-14(25)7-29-17-23-21-9(2)31-17/h3-5H,6-7H2,1-2H3,(H,18,24)(H,19,25)(H,26,27)