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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-propionamide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)Br

InChI

InChI=1S/C18H21BrN4OS/c1-10(9-23-12(3)16(19)11(2)22-23)17(24)21-18-14(8-20)13-6-4-5-7-15(13)25-18/h10H,4-7,9H2,1-3H3,(H,21,24)