4-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-methyl-pyrazole-3-carboxamide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN(C=C3Br)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN(C=C3Br)C

InChI

InChI=1S/C18H21BrN4OS/c1-18(2,3)10-5-6-11-12(8-20)17(25-14(11)7-10)21-16(24)15-13(19)9-23(4)22-15/h9-10H,5-7H2,1-4H3,(H,21,24)