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(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 1-methylpyrazole-3-carboxylate

(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 1-methylpyrazole-3-carboxylate

Systemtic Name:(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 1-methylpyrazole-3-carboxylate
Openeye Name:(2-thioxo-1,3-benzothiazol-3-yl)methyl 1-methylpyrazole-3-carboxylate
CAS Name:1-methyl-3-pyrazolecarboxylic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester
IUPAC Name:(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 1-methylpyrazole-3-carboxylate
Traditional Name:1-methylpyrazole-3-carboxylic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester
Formula: C13H11N3O2S2
MolecularWeight: 305.37534
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OCN2C3=CC=CC=C3SC2=S


Isomeric SMILES

CN1C=CC(=N1)C(=O)OCN2C3=CC=CC=C3SC2=S


InChI

InChI=1S/C13H11N3O2S2/c1-15-7-6-9(14-15)12(17)18-8-16-10-4-2-3-5-11(10)20-13(16)19/h2-7H,8H2,1H3


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