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

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

Systemtic Name:2-[(2-propyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
Openeye Name:2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole-6-carboxylic acid
CAS Name:2-[(2-propyl-5-tetrazolyl)thio]-1,3-benzothiazole-6-carboxylic acid
IUPAC Name:2-(2-propyltetrazol-5-yl)sulfanyl-1,3-benzothiazole-6-carboxylic acid
Traditional Name:2-[(2-propyltetrazol-5-yl)thio]-1,3-benzothiazole-6-carboxylic acid
Formula: C12H11N5O2S2
MolecularWeight: 321.37804
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O


Isomeric SMILES

CCCN1N=C(N=N1)SC2=NC3=C(S2)C=C(C=C3)C(=O)O


InChI

InChI=1S/C12H11N5O2S2/c1-2-5-17-15-11(14-16-17)21-12-13-8-4-3-7(10(18)19)6-9(8)20-12/h3-4,6H,2,5H2,1H3,(H,18,19)


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