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

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

Systemtic Name:2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
Openeye Name:2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
CAS Name:2-[(5-butyl-1,3,4-thiadiazol-2-yl)thio]-1,3-benzothiazole-6-carboxylic acid
IUPAC Name:2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
Traditional Name:2-[(5-butyl-1,3,4-thiadiazol-2-yl)thio]-1,3-benzothiazole-6-carboxylic acid
Formula: C14H13N3O2S3
MolecularWeight: 351.46692
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O


Isomeric SMILES

CCCCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O


InChI

InChI=1S/C14H13N3O2S3/c1-2-3-4-11-16-17-14(21-11)22-13-15-9-6-5-8(12(18)19)7-10(9)20-13/h5-7H,2-4H2,1H3,(H,18,19)


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