2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)thio]thiazole-5-carboxylic acid Formula: C13H9N3O2S3 MolecularWeight: 335.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC=C(S3)C(=O)O

InChI

InChI=1S/C13H9N3O2S3/c17-11(18)9-7-14-12(19-9)21-13-16-15-10(20-13)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,18)