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2-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-1-yl]thiophene-3-carboxylic acid

2-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-1-yl]thiophene-3-carboxylic acid

Systemtic Name:2-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-1-yl]thiophene-3-carboxylic acid
Openeye Name:2-[5-(1,3-benzothiazol-2-ylsulfanyl)tetrazol-1-yl]thiophene-3-carboxylic acid
CAS Name:2-[5-(1,3-benzothiazol-2-ylthio)-1-tetrazolyl]-3-thiophenecarboxylic acid
IUPAC Name:2-[5-(1,3-benzothiazol-2-ylsulfanyl)tetrazol-1-yl]thiophene-3-carboxylic acid
Traditional Name:2-[5-(1,3-benzothiazol-2-ylthio)tetrazol-1-yl]-3-thenoic acid
Formula: C13H7N5O2S3
MolecularWeight: 361.42198
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NN=NN3C4=C(C=CS4)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NN=NN3C4=C(C=CS4)C(=O)O


InChI

InChI=1S/C13H7N5O2S3/c19-11(20)7-5-6-21-10(7)18-12(15-16-17-18)23-13-14-8-3-1-2-4-9(8)22-13/h1-6H,(H,19,20)


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