4-bromanyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C17H18BrN5OS2 MolecularWeight: 452.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)C

InChI

InChI=1S/C17H18BrN5OS2/c1-9-13(18)14(23(2)22-9)15(24)20-17(25)21-16-11(8-19)10-6-4-3-5-7-12(10)26-16/h3-7H2,1-2H3,(H2,20,21,24,25)