2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(5-benzyl-1,3,4-thiadiazol-2-yl)thio]-1,3-benzothiazole-6-carboxylic acid Formula: C17H11N3O2S3 MolecularWeight: 385.48314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C17H11N3O2S3/c21-15(22)11-6-7-12-13(9-11)23-16(18-12)25-17-20-19-14(24-17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)