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

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-2-methyl-pyrazole-3-carboxamide Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C16H17N5OS2/c1-21-12(7-8-18-21)14(22)19-16(23)20-15-11(9-17)10-5-3-2-4-6-13(10)24-15/h7-8H,2-6H2,1H3,(H2,19,20,22,23)