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

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide Formula: C19H19BrN6OS MolecularWeight: 459.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)Br

InChI

InChI=1S/C19H19BrN6OS/c1-11-17(20)12(2)26(23-11)10-25-8-7-15(24-25)18(27)22-19-14(9-21)13-5-3-4-6-16(13)28-19/h7-8H,3-6,10H2,1-2H3,(H,22,27)