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

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

Systemtic Name:2-[(5-phenethyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
Openeye Name:2-[(5-phenethyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
CAS Name:2-[(5-phenethyl-1,3,4-thiadiazol-2-yl)thio]-1,3-benzothiazole-6-carboxylic acid
IUPAC Name:2-[(5-phenethyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
Traditional Name:2-[(5-phenethyl-1,3,4-thiadiazol-2-yl)thio]-1,3-benzothiazole-6-carboxylic acid
Formula: C18H13N3O2S3
MolecularWeight: 399.50972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(S2)SC3=NC4=C(S3)C=C(C=C4)C(=O)O


InChI

InChI=1S/C18H13N3O2S3/c22-16(23)12-7-8-13-14(10-12)24-17(19-13)26-18-21-20-15(25-18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,22,23)


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