1-[(4-bromanylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide Formula: C17H15BrN6OS MolecularWeight: 431.3096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)C#N

InChI

InChI=1S/C17H15BrN6OS/c18-11-8-20-24(9-11)10-23-6-5-14(22-23)16(25)21-17-13(7-19)12-3-1-2-4-15(12)26-17/h5-6,8-9H,1-4,10H2,(H,21,25)